1-benzyl-N-[(1R)-1-phenylethyl]piperidin-4-imine

C20H24N2 — CID 102438908

IUPAC1-benzyl-N-[(1R)-1-phenylethyl]piperidin-4-imine
SMILESC[C@@H](N=C1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H24N2/c1-17(19-10-6-3-7-11-19)21-20-12-14-22(15-13-20)16-18-8-4-2-5-9-18/h2-11,17H,12-16H2,1H3/t17-/m1/s1
InChIKeyOHAJXKVZKKPFFE-QGZVFWFLSA-N
MW292.43 g/mol
LogP4.48
Rot. Bonds4

About 1-benzyl-N-[(1R)-1-phenylethyl]piperidin-4-imine

1-benzyl-N-[(1R)-1-phenylethyl]piperidin-4-imine (PubChem CID 102438908) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-benzyl-N-[(1R)-1-phenylethyl]piperidin-4-imine.

Molecular Properties

Compound Name1-benzyl-N-[(1R)-1-phenylethyl]piperidin-4-imine
PubChem CID102438908
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name1-benzyl-N-[(1R)-1-phenylethyl]piperidin-4-imine
SMILESC[C@@H](N=C1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H24N2/c1-17(19-10-6-3-7-11-19)21-20-12-14-22(15-13-20)16-18-8-4-2-5-9-18/h2-11,17H,12-16H2,1H3/t17-/m1/s1
InChIKeyOHAJXKVZKKPFFE-QGZVFWFLSA-N
XLogP4.48
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-benzyl-N-[(1R)-1-phenylethyl]piperidin-4-imine 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

2-[1-[(1-benzylpiperidin-4-ylidene)amino]-2-methylpropyl]aniline
CID 139982520
1-benzyl-4-[(3S)-3-phenylbutyl]piperazine
CID 1376475
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzylpyrrolidine;propane
CID 143692089
1-benzylazepane
CID 10954328
N-(1-benzylpiperidin-4-ylidene)-2-methylpropane-2-sulfinamide
CID 142606370
1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine
CID 1378352
2-[[[1-[(3-methoxyphenyl)methyl]piperidin-4-ylidene]amino]-phenylmethyl]aniline
CID 139982488
6-benzyl-1-[(1S)-1-phenylethyl]-2,3,4,5,7,8-hexahydro-1,6-naphthyridine
CID 15402473
1-benzylpiperidin-4-one;butane
CID 70571840
1-(4-benzylpiperazin-1-yl)propane-2-thiol
CID 88685831
(3R)-3-benzhydryl-1-benzylpiperidin-4-one
CID 86328824

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(1R)-1-phenylethyl]piperidin-4-imine?
The IUPAC name of 1-benzyl-N-[(1R)-1-phenylethyl]piperidin-4-imine (CID 102438908) is 1-benzyl-N-[(1R)-1-phenylethyl]piperidin-4-imine.
What is the SMILES notation for 1-benzyl-N-[(1R)-1-phenylethyl]piperidin-4-imine?
The canonical SMILES for 1-benzyl-N-[(1R)-1-phenylethyl]piperidin-4-imine is C[C@@H](N=C1CCN(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 1-benzyl-N-[(1R)-1-phenylethyl]piperidin-4-imine?
The InChIKey is OHAJXKVZKKPFFE-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N2/c1-17(19-10-6-3-7-11-19)21-20-12-14-22(15-13-20)16-18-8-4-2-5-9-18/h2-11,17H,12-16H2,1H3/t17-/m1/s1.
What are the key properties of 1-benzyl-N-[(1R)-1-phenylethyl]piperidin-4-imine?
1-benzyl-N-[(1R)-1-phenylethyl]piperidin-4-imine has a molecular weight of 292.43 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(1R)-1-phenylethyl]piperidin-4-imine is sourced from PubChem (CID 102438908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).