(2S,3S)-2-benzyl-N-(3-chlorophenyl)piperidin-3-amine

C18H21ClN2 — CID 110155454

IUPAC(2S,3S)-2-benzyl-N-(3-chlorophenyl)piperidin-3-amine
SMILESClc1cccc(N[C@H]2CCCN[C@H]2Cc2ccccc2)c1
InChIInChI=1S/C18H21ClN2/c19-15-8-4-9-16(13-15)21-17-10-5-11-20-18(17)12-14-6-2-1-3-7-14/h1-4,6-9,13,17-18,20-21H,5,10-12H2/t17-,18-/m0/s1
InChIKeyPYZHLBRDQFQQMA-ROUUACIJSA-N
MW300.83 g/mol
LogP4.12
Rot. Bonds4

About (2S,3S)-2-benzyl-N-(3-chlorophenyl)piperidin-3-amine

(2S,3S)-2-benzyl-N-(3-chlorophenyl)piperidin-3-amine (PubChem CID 110155454) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is (2S,3S)-2-benzyl-N-(3-chlorophenyl)piperidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-benzyl-N-(3-chlorophenyl)piperidin-3-amine
PubChem CID110155454
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name(2S,3S)-2-benzyl-N-(3-chlorophenyl)piperidin-3-amine
SMILESClc1cccc(N[C@H]2CCCN[C@H]2Cc2ccccc2)c1
InChIInChI=1S/C18H21ClN2/c19-15-8-4-9-16(13-15)21-17-10-5-11-20-18(17)12-14-6-2-1-3-7-14/h1-4,6-9,13,17-18,20-21H,5,10-12H2/t17-,18-/m0/s1
InChIKeyPYZHLBRDQFQQMA-ROUUACIJSA-N
XLogP4.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-benzyl-N-(3-chlorophenyl)piperidin-3-amine?
The IUPAC name of (2S,3S)-2-benzyl-N-(3-chlorophenyl)piperidin-3-amine (CID 110155454) is (2S,3S)-2-benzyl-N-(3-chlorophenyl)piperidin-3-amine.
What is the SMILES notation for (2S,3S)-2-benzyl-N-(3-chlorophenyl)piperidin-3-amine?
The canonical SMILES for (2S,3S)-2-benzyl-N-(3-chlorophenyl)piperidin-3-amine is Clc1cccc(N[C@H]2CCCN[C@H]2Cc2ccccc2)c1.
What is the InChIKey of (2S,3S)-2-benzyl-N-(3-chlorophenyl)piperidin-3-amine?
The InChIKey is PYZHLBRDQFQQMA-ROUUACIJSA-N. The full InChI is InChI=1S/C18H21ClN2/c19-15-8-4-9-16(13-15)21-17-10-5-11-20-18(17)12-14-6-2-1-3-7-14/h1-4,6-9,13,17-18,20-21H,5,10-12H2/t17-,18-/m0/s1.
What are the key properties of (2S,3S)-2-benzyl-N-(3-chlorophenyl)piperidin-3-amine?
(2S,3S)-2-benzyl-N-(3-chlorophenyl)piperidin-3-amine has a molecular weight of 300.83 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-benzyl-N-(3-chlorophenyl)piperidin-3-amine is sourced from PubChem (CID 110155454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).