(3R,4R)-1-benzyl-N-[(2-chlorophenyl)methyl]-3-phenylpiperidin-4-amine

C25H27ClN2 — CID 7441557

IUPAC(3R,4R)-1-benzyl-N-[(2-chlorophenyl)methyl]-3-phenylpiperidin-4-amine
SMILESClc1ccccc1CN[C@@H]1CCN(Cc2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C25H27ClN2/c26-24-14-8-7-13-22(24)17-27-25-15-16-28(18-20-9-3-1-4-10-20)19-23(25)21-11-5-2-6-12-21/h1-14,23,25,27H,15-19H2/t23-,25+/m0/s1
InChIKeyJONOYXATECIXQY-UKILVPOCSA-N
MW390.96 g/mol
LogP5.49
Rot. Bonds6

About (3R,4R)-1-benzyl-N-[(2-chlorophenyl)methyl]-3-phenylpiperidin-4-amine

(3R,4R)-1-benzyl-N-[(2-chlorophenyl)methyl]-3-phenylpiperidin-4-amine (PubChem CID 7441557) has the molecular formula C25H27ClN2 and a molecular weight of 390.96 g/mol. Its IUPAC name is (3R,4R)-1-benzyl-N-[(2-chlorophenyl)methyl]-3-phenylpiperidin-4-amine.

Molecular Properties

Compound Name(3R,4R)-1-benzyl-N-[(2-chlorophenyl)methyl]-3-phenylpiperidin-4-amine
PubChem CID7441557
Molecular FormulaC25H27ClN2
Molecular Weight390.96 g/mol
Exact Mass390.19
IUPAC Name(3R,4R)-1-benzyl-N-[(2-chlorophenyl)methyl]-3-phenylpiperidin-4-amine
SMILESClc1ccccc1CN[C@@H]1CCN(Cc2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C25H27ClN2/c26-24-14-8-7-13-22(24)17-27-25-15-16-28(18-20-9-3-1-4-10-20)19-23(25)21-11-5-2-6-12-21/h1-14,23,25,27H,15-19H2/t23-,25+/m0/s1
InChIKeyJONOYXATECIXQY-UKILVPOCSA-N
XLogP5.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.96
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-N,1-dibenzyl-3-phenylpiperidin-4-amine
CID 7450726
(3S,4S)-N,1-dibenzyl-3-phenylpiperidin-4-amine
CID 11905043
(3S,4S)-1-benzyl-N-(furan-2-ylmethyl)-3-phenylpiperidin-4-amine
CID 124813938
1-benzyl-3-phenyl-N-(2-piperidin-1-ylethyl)piperidin-4-amine;dihydrochloride
CID 175654335
(3S,4S)-N-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-3-phenylpiperidin-4-amine
CID 124909525
N,1-dibenzyl-3-(4-ethoxyphenyl)piperidin-4-amine
CID 6488319
(3S,4R)-N,1-dibenzyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 73350587
(3S)-1-benzyl-N-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 30034860
(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
(3R,4S)-1-benzyl-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-amine
CID 124764153
(3S,4R)-1-benzyl-N-methyl-4-phenylpyrrolidin-3-amine
CID 59840122

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-benzyl-N-[(2-chlorophenyl)methyl]-3-phenylpiperidin-4-amine?
The IUPAC name of (3R,4R)-1-benzyl-N-[(2-chlorophenyl)methyl]-3-phenylpiperidin-4-amine (CID 7441557) is (3R,4R)-1-benzyl-N-[(2-chlorophenyl)methyl]-3-phenylpiperidin-4-amine.
What is the SMILES notation for (3R,4R)-1-benzyl-N-[(2-chlorophenyl)methyl]-3-phenylpiperidin-4-amine?
The canonical SMILES for (3R,4R)-1-benzyl-N-[(2-chlorophenyl)methyl]-3-phenylpiperidin-4-amine is Clc1ccccc1CN[C@@H]1CCN(Cc2ccccc2)C[C@H]1c1ccccc1.
What is the InChIKey of (3R,4R)-1-benzyl-N-[(2-chlorophenyl)methyl]-3-phenylpiperidin-4-amine?
The InChIKey is JONOYXATECIXQY-UKILVPOCSA-N. The full InChI is InChI=1S/C25H27ClN2/c26-24-14-8-7-13-22(24)17-27-25-15-16-28(18-20-9-3-1-4-10-20)19-23(25)21-11-5-2-6-12-21/h1-14,23,25,27H,15-19H2/t23-,25+/m0/s1.
What are the key properties of (3R,4R)-1-benzyl-N-[(2-chlorophenyl)methyl]-3-phenylpiperidin-4-amine?
(3R,4R)-1-benzyl-N-[(2-chlorophenyl)methyl]-3-phenylpiperidin-4-amine has a molecular weight of 390.96 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-benzyl-N-[(2-chlorophenyl)methyl]-3-phenylpiperidin-4-amine is sourced from PubChem (CID 7441557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).