(1-benzylpiperidin-4-yl) N-(1,1-diphenylethyl)carbamate

C27H30N2O2 — CID 10693138

IUPAC(1-benzylpiperidin-4-yl) N-(1,1-diphenylethyl)carbamate
SMILESCC(NC(=O)OC1CCN(Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30N2O2/c1-27(23-13-7-3-8-14-23,24-15-9-4-10-16-24)28-26(30)31-25-17-19-29(20-18-25)21-22-11-5-2-6-12-22/h2-16,25H,17-21H2,1H3,(H,28,30)
InChIKeySRHOGAXGXSKNSY-UHFFFAOYSA-N
MW414.55 g/mol
LogP5.34
Rot. Bonds6

About (1-benzylpiperidin-4-yl) N-(1,1-diphenylethyl)carbamate

(1-benzylpiperidin-4-yl) N-(1,1-diphenylethyl)carbamate (PubChem CID 10693138) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is (1-benzylpiperidin-4-yl) N-(1,1-diphenylethyl)carbamate.

Molecular Properties

Compound Name(1-benzylpiperidin-4-yl) N-(1,1-diphenylethyl)carbamate
PubChem CID10693138
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name(1-benzylpiperidin-4-yl) N-(1,1-diphenylethyl)carbamate
SMILESCC(NC(=O)OC1CCN(Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30N2O2/c1-27(23-13-7-3-8-14-23,24-15-9-4-10-16-24)28-26(30)31-25-17-19-29(20-18-25)21-22-11-5-2-6-12-22/h2-16,25H,17-21H2,1H3,(H,28,30)
InChIKeySRHOGAXGXSKNSY-UHFFFAOYSA-N
XLogP5.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-benzylpiperidin-4-yl) N-(1,1-diphenylethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R)-1-benzylpyrrolidin-3-yl] N-tert-butylcarbamate
CID 175027236
(1-benzylpiperidin-4-yl) 3-oxobutanoate
CID 13108113
methyl 2-(1-benzylpiperidin-4-yl)oxy-2-methylpropanoate
CID 155390510
N-(1-amino-1-oxo-2-phenylpropan-2-yl)-1-benzylpiperidine-4-carboxamide
CID 136580049
(1-benzylpiperidin-4-yl) 2-methylbenzoate
CID 18919792
(1-benzylpiperidin-4-yl) prop-2-enyl carbonate
CID 11242829
(1-benzylpiperidin-4-yl) N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate
CID 21352739
[1-[(4-nitrophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate
CID 15636670
2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylpropanamide;dihydrochloride
CID 120597388
tert-butyl (1-benzylpiperidin-4-yl)arsanylformate
CID 173186373
2-[(1-benzylpiperidin-4-yl)amino]-2-methylpropanamide
CID 61211452
[1-[(4-methylphenyl)methyl]piperidin-4-yl] benzoate;hydrochloride
CID 18919781

Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-4-yl) N-(1,1-diphenylethyl)carbamate?
The IUPAC name of (1-benzylpiperidin-4-yl) N-(1,1-diphenylethyl)carbamate (CID 10693138) is (1-benzylpiperidin-4-yl) N-(1,1-diphenylethyl)carbamate.
What is the SMILES notation for (1-benzylpiperidin-4-yl) N-(1,1-diphenylethyl)carbamate?
The canonical SMILES for (1-benzylpiperidin-4-yl) N-(1,1-diphenylethyl)carbamate is CC(NC(=O)OC1CCN(Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1-benzylpiperidin-4-yl) N-(1,1-diphenylethyl)carbamate?
The InChIKey is SRHOGAXGXSKNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-27(23-13-7-3-8-14-23,24-15-9-4-10-16-24)28-26(30)31-25-17-19-29(20-18-25)21-22-11-5-2-6-12-22/h2-16,25H,17-21H2,1H3,(H,28,30).
What are the key properties of (1-benzylpiperidin-4-yl) N-(1,1-diphenylethyl)carbamate?
(1-benzylpiperidin-4-yl) N-(1,1-diphenylethyl)carbamate has a molecular weight of 414.55 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-4-yl) N-(1,1-diphenylethyl)carbamate is sourced from PubChem (CID 10693138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).