N-(1-Butyl-4-phenyl-4-piperidinyl)tetrahydropapaverine

(1-butyl-4-phenylpiperidin-4-yl)-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone

CAS: 77172-81-7

Molecular Formula	`C36H46N2O5`
Molecular Weight	586.8 g/mol
LogP	6.4
Topological Polar Surface Area	60.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	11
Exact Mass	586.3407
Heavy Atoms	43
Complexity	857.0

Chemical Identifiers

CAS Number	77172-81-7
SMILES	`CCCCN1CCC(CC1)(C2=CC=CC=C2)C(=O)N3CCC4=CC(=C(C=C4C3CC5=CC(=C(C=C5)OC)OC)OC)OC`
InChIKey	`IJWIOLPQJVTSRT-UHFFFAOYSA-N`

📖 Product Overview

N-(1-Butyl-4-phenyl-4-piperidinyl)tetrahydropapaverine (CAS: 77172-81-7) is a chemical compound with molecular formula C36H46N2O5 and molecular weight 586.8 g/mol. Its IUPAC systematic name is (1-butyl-4-phenylpiperidin-4-yl)-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone. LogP 6.4 Topological Polar Surface Area 60.5 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 11 Exact Mass 586.3407 Heavy Atoms 43 Complexity 857.0 InChI Key: IJWIOLPQJVTSRT-UHFFFAOYSA-N. SMILES: CCCCN1CCC(CC1)(C2=CC=CC=C2)C(=O)N3CCC4=CC(=C(C=C4C3CC5=CC(=C(C=C5)OC)OC)OC)OC.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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