(3S,4S)-N,1-dibenzyl-3-phenylpiperidin-4-amine

C25H28N2 — CID 11905043

IUPAC(3S,4S)-N,1-dibenzyl-3-phenylpiperidin-4-amine
SMILESc1ccc(CN[C@H]2CCN(Cc3ccccc3)C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C25H28N2/c1-4-10-21(11-5-1)18-26-25-16-17-27(19-22-12-6-2-7-13-22)20-24(25)23-14-8-3-9-15-23/h1-15,24-26H,16-20H2/t24-,25+/m1/s1
InChIKeyMGXJQLLOZXQAEP-RPBOFIJWSA-N
MW356.51 g/mol
LogP4.83
Rot. Bonds6

About (3S,4S)-N,1-dibenzyl-3-phenylpiperidin-4-amine

(3S,4S)-N,1-dibenzyl-3-phenylpiperidin-4-amine (PubChem CID 11905043) has the molecular formula C25H28N2 and a molecular weight of 356.51 g/mol. Its IUPAC name is (3S,4S)-N,1-dibenzyl-3-phenylpiperidin-4-amine.

Molecular Properties

Compound Name(3S,4S)-N,1-dibenzyl-3-phenylpiperidin-4-amine
PubChem CID11905043
Molecular FormulaC25H28N2
Molecular Weight356.51 g/mol
Exact Mass356.23
IUPAC Name(3S,4S)-N,1-dibenzyl-3-phenylpiperidin-4-amine
SMILESc1ccc(CN[C@H]2CCN(Cc3ccccc3)C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C25H28N2/c1-4-10-21(11-5-1)18-26-25-16-17-27(19-22-12-6-2-7-13-22)20-24(25)23-14-8-3-9-15-23/h1-15,24-26H,16-20H2/t24-,25+/m1/s1
InChIKeyMGXJQLLOZXQAEP-RPBOFIJWSA-N
XLogP4.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.83
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
(3R,4R)-1-benzyl-N-[(2-chlorophenyl)methyl]-3-phenylpiperidin-4-amine
CID 7441557
N,1-dibenzyl-3-(4-ethoxyphenyl)piperidin-4-amine
CID 6488319
(3S,4R)-N,1-dibenzyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 73350587
(3S,4S)-1-benzyl-N-(furan-2-ylmethyl)-3-phenylpiperidin-4-amine
CID 124813938
(3S,4S)-N-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-3-phenylpiperidin-4-amine
CID 124909525
1-benzyl-3-phenyl-N-(2-piperidin-1-ylethyl)piperidin-4-amine;dihydrochloride
CID 175654335
(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
1-benzyl-3-phenylpiperidine-4-carboxylic acid
CID 3345807

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N,1-dibenzyl-3-phenylpiperidin-4-amine?
The IUPAC name of (3S,4S)-N,1-dibenzyl-3-phenylpiperidin-4-amine (CID 11905043) is (3S,4S)-N,1-dibenzyl-3-phenylpiperidin-4-amine.
What is the SMILES notation for (3S,4S)-N,1-dibenzyl-3-phenylpiperidin-4-amine?
The canonical SMILES for (3S,4S)-N,1-dibenzyl-3-phenylpiperidin-4-amine is c1ccc(CN[C@H]2CCN(Cc3ccccc3)C[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (3S,4S)-N,1-dibenzyl-3-phenylpiperidin-4-amine?
The InChIKey is MGXJQLLOZXQAEP-RPBOFIJWSA-N. The full InChI is InChI=1S/C25H28N2/c1-4-10-21(11-5-1)18-26-25-16-17-27(19-22-12-6-2-7-13-22)20-24(25)23-14-8-3-9-15-23/h1-15,24-26H,16-20H2/t24-,25+/m1/s1.
What are the key properties of (3S,4S)-N,1-dibenzyl-3-phenylpiperidin-4-amine?
(3S,4S)-N,1-dibenzyl-3-phenylpiperidin-4-amine has a molecular weight of 356.51 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N,1-dibenzyl-3-phenylpiperidin-4-amine is sourced from PubChem (CID 11905043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).