(3S)-3-(benzylideneamino)piperidin-2-one
TL;DR: (3S)-3-(benzylideneamino)piperidin-2-one (CAS 123500-08-3) is a chemical compound with molecular formula C12H14N2O and molecular weight 202.11061 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-3-(benzylideneamino)piperidin-2-one
Also Known As: (3S)-3-(benzylideneamino)piperidin-2-one, 2-Piperidinone, 3-[(phenylmethylene)amino]-, (3S)-
Technical Specifications
| Molecular Formula | C12H14N2O |
| Molecular Weight | 202.11061 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.11061 Da |
| Heavy Atoms | 15 |
| Complexity | 244.0 |
| SMILES | C1C[C@@H](C(=O)NC1)N=CC2=CC=CC=C2 |
| InChIKey | OUZDVZIJMDBLMM-NSHDSACASA-N |
Chemical Property Profile of (3S)-3-(benzylideneamino)piperidin-2-one
Property Insights of (3S)-3-(benzylideneamino)piperidin-2-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-3-(benzylideneamino)piperidin-2-one. With a topological polar surface area (TPSA) of 41.5 Ų, (3S)-3-(benzylideneamino)piperidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S)-3-(benzylideneamino)piperidin-2-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (3S)-3-(benzylideneamino)piperidin-2-one?
The CAS number of (3S)-3-(benzylideneamino)piperidin-2-one is 123500-08-3.
What is the molecular formula of (3S)-3-(benzylideneamino)piperidin-2-one?
The molecular formula of (3S)-3-(benzylideneamino)piperidin-2-one is C12H14N2O.
What is the molecular weight of (3S)-3-(benzylideneamino)piperidin-2-one?
The molecular weight of (3S)-3-(benzylideneamino)piperidin-2-one is 202.11061 g/mol.
Where can I buy (3S)-3-(benzylideneamino)piperidin-2-one?
You can request a quote for (3S)-3-(benzylideneamino)piperidin-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3S)-3-(benzylideneamino)piperidin-2-one?
Yes, CoreyChem provides custom synthesis services for (3S)-3-(benzylideneamino)piperidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.