(3S,4S)-1-benzyl-N-(furan-2-ylmethyl)-3-phenylpiperidin-4-amine

C23H26N2O — CID 124813938

IUPAC(3S,4S)-1-benzyl-N-(furan-2-ylmethyl)-3-phenylpiperidin-4-amine
SMILESc1ccc(CN2CC[C@H](NCc3ccco3)[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C23H26N2O/c1-3-8-19(9-4-1)17-25-14-13-23(24-16-21-12-7-15-26-21)22(18-25)20-10-5-2-6-11-20/h1-12,15,22-24H,13-14,16-18H2/t22-,23+/m1/s1
InChIKeyFCRZKCYWZIJWKU-PKTZIBPZSA-N
MW346.47 g/mol
LogP4.43
Rot. Bonds6

About (3S,4S)-1-benzyl-N-(furan-2-ylmethyl)-3-phenylpiperidin-4-amine

(3S,4S)-1-benzyl-N-(furan-2-ylmethyl)-3-phenylpiperidin-4-amine (PubChem CID 124813938) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is (3S,4S)-1-benzyl-N-(furan-2-ylmethyl)-3-phenylpiperidin-4-amine.

Molecular Properties

Compound Name(3S,4S)-1-benzyl-N-(furan-2-ylmethyl)-3-phenylpiperidin-4-amine
PubChem CID124813938
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name(3S,4S)-1-benzyl-N-(furan-2-ylmethyl)-3-phenylpiperidin-4-amine
SMILESc1ccc(CN2CC[C@H](NCc3ccco3)[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C23H26N2O/c1-3-8-19(9-4-1)17-25-14-13-23(24-16-21-12-7-15-26-21)22(18-25)20-10-5-2-6-11-20/h1-12,15,22-24H,13-14,16-18H2/t22-,23+/m1/s1
InChIKeyFCRZKCYWZIJWKU-PKTZIBPZSA-N
XLogP4.43
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
(3R,4R)-1-benzyl-N-[(2-chlorophenyl)methyl]-3-phenylpiperidin-4-amine
CID 7441557
(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
N,1-dibenzyl-3-(4-ethoxyphenyl)piperidin-4-amine
CID 6488319
(3S,4R)-N,1-dibenzyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 73350587
N-(furan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 24732692
1-benzyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 43921227
(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589
1-benzyl-3-phenylpiperidine-4-carboxylic acid
CID 3345807
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-benzyl-N-(furan-2-ylmethyl)-3-phenylpiperidin-4-amine?
The IUPAC name of (3S,4S)-1-benzyl-N-(furan-2-ylmethyl)-3-phenylpiperidin-4-amine (CID 124813938) is (3S,4S)-1-benzyl-N-(furan-2-ylmethyl)-3-phenylpiperidin-4-amine.
What is the SMILES notation for (3S,4S)-1-benzyl-N-(furan-2-ylmethyl)-3-phenylpiperidin-4-amine?
The canonical SMILES for (3S,4S)-1-benzyl-N-(furan-2-ylmethyl)-3-phenylpiperidin-4-amine is c1ccc(CN2CC[C@H](NCc3ccco3)[C@@H](c3ccccc3)C2)cc1.
What is the InChIKey of (3S,4S)-1-benzyl-N-(furan-2-ylmethyl)-3-phenylpiperidin-4-amine?
The InChIKey is FCRZKCYWZIJWKU-PKTZIBPZSA-N. The full InChI is InChI=1S/C23H26N2O/c1-3-8-19(9-4-1)17-25-14-13-23(24-16-21-12-7-15-26-21)22(18-25)20-10-5-2-6-11-20/h1-12,15,22-24H,13-14,16-18H2/t22-,23+/m1/s1.
What are the key properties of (3S,4S)-1-benzyl-N-(furan-2-ylmethyl)-3-phenylpiperidin-4-amine?
(3S,4S)-1-benzyl-N-(furan-2-ylmethyl)-3-phenylpiperidin-4-amine has a molecular weight of 346.47 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-benzyl-N-(furan-2-ylmethyl)-3-phenylpiperidin-4-amine is sourced from PubChem (CID 124813938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).