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1,1-Dimethylethyl 4-[[(3-fluorophenyl)amino]carbonyl]-1-piperidinecarboxylate structure
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1,1-Dimethylethyl 4-[[(3-fluorophenyl)amino]carbonyl]-1-piperidinecarboxylate

TL;DR: 1,1-Dimethylethyl 4-[[(3-fluorophenyl)amino]carbonyl]-1-piperidinecarboxylate (CAS 1325496-74-9) is a chemical compound with molecular formula C17H23FN2O3 and molecular weight 322.16928 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

tert-butyl 4-[(3-fluorophenyl)carbamoyl]piperidine-1-carboxylate

Also Known As: tert-butyl 4-[(3-fluorophenyl)carbamoyl]piperidine-1-carboxylate, 1,1-Dimethylethyl 4-[[(3-fluorophenyl)amino]carbonyl]-1-piperidinecarboxylate

CAS Number
1325496-74-9
Molecular Formula
C17H23FN2O3
Molecular Weight
322.16928 g/mol
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Technical Specifications

Molecular FormulaC17H23FN2O3
Molecular Weight322.16928 g/mol
XLogP2.5
Topological Polar Surface Area (TPSA)58.6 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors4
Rotatable Bonds4
Exact Mass322.16928 Da
Heavy Atoms23
Complexity428.0
SMILESCC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=CC(=CC=C2)F
InChIKeyNHFCKFUIYNMVTH-UHFFFAOYSA-N

Chemical Property Profile of 1,1-Dimethylethyl 4-[[(3-fluorophenyl)amino]carbonyl]-1-piperidinecarboxylate

XLogP
2.5
TPSA (Topological Polar Surface Area)
58.6
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
Rotatable Bonds
4
Heavy Atoms
23
Complexity
428.0
Exact Mass
322.16928
Monoisotopic Mass
322.16928
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 1,1-Dimethylethyl 4-[[(3-fluorophenyl)amino]carbonyl]-1-piperidinecarboxylate

The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dimethylethyl 4-[[(3-fluorophenyl)amino]carbonyl]-1-piperidinecarboxylate. With a topological polar surface area (TPSA) of 58.6 Ų, 1,1-Dimethylethyl 4-[[(3-fluorophenyl)amino]carbonyl]-1-piperidinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dimethylethyl 4-[[(3-fluorophenyl)amino]carbonyl]-1-piperidinecarboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 1,1-Dimethylethyl 4-[[(3-fluorophenyl)amino]carbonyl]-1-piperidinecarboxylate?

The CAS number of 1,1-Dimethylethyl 4-[[(3-fluorophenyl)amino]carbonyl]-1-piperidinecarboxylate is 1325496-74-9.

What is the molecular formula of 1,1-Dimethylethyl 4-[[(3-fluorophenyl)amino]carbonyl]-1-piperidinecarboxylate?

The molecular formula of 1,1-Dimethylethyl 4-[[(3-fluorophenyl)amino]carbonyl]-1-piperidinecarboxylate is C17H23FN2O3.

What is the molecular weight of 1,1-Dimethylethyl 4-[[(3-fluorophenyl)amino]carbonyl]-1-piperidinecarboxylate?

The molecular weight of 1,1-Dimethylethyl 4-[[(3-fluorophenyl)amino]carbonyl]-1-piperidinecarboxylate is 322.16928 g/mol.

Where can I buy 1,1-Dimethylethyl 4-[[(3-fluorophenyl)amino]carbonyl]-1-piperidinecarboxylate?

You can request a quote for 1,1-Dimethylethyl 4-[[(3-fluorophenyl)amino]carbonyl]-1-piperidinecarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 1,1-Dimethylethyl 4-[[(3-fluorophenyl)amino]carbonyl]-1-piperidinecarboxylate?

Yes, CoreyChem provides custom synthesis services for 1,1-Dimethylethyl 4-[[(3-fluorophenyl)amino]carbonyl]-1-piperidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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