(2R,3S)-N-[(2-chlorophenyl)methyl]-2-phenylpiperidin-3-amine

C18H21ClN2 — CID 54529861

IUPAC(2R,3S)-N-[(2-chlorophenyl)methyl]-2-phenylpiperidin-3-amine
SMILESClc1ccccc1CN[C@H]1CCCN[C@@H]1c1ccccc1
InChIInChI=1S/C18H21ClN2/c19-16-10-5-4-9-15(16)13-21-17-11-6-12-20-18(17)14-7-2-1-3-8-14/h1-5,7-10,17-18,20-21H,6,11-13H2/t17-,18+/m0/s1
InChIKeyYVSPJXHOLVICAC-ZWKOTPCHSA-N
MW300.83 g/mol
LogP3.92
Rot. Bonds4

About (2R,3S)-N-[(2-chlorophenyl)methyl]-2-phenylpiperidin-3-amine

(2R,3S)-N-[(2-chlorophenyl)methyl]-2-phenylpiperidin-3-amine (PubChem CID 54529861) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is (2R,3S)-N-[(2-chlorophenyl)methyl]-2-phenylpiperidin-3-amine.

Molecular Properties

Compound Name(2R,3S)-N-[(2-chlorophenyl)methyl]-2-phenylpiperidin-3-amine
PubChem CID54529861
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name(2R,3S)-N-[(2-chlorophenyl)methyl]-2-phenylpiperidin-3-amine
SMILESClc1ccccc1CN[C@H]1CCCN[C@@H]1c1ccccc1
InChIInChI=1S/C18H21ClN2/c19-16-10-5-4-9-15(16)13-21-17-11-6-12-20-18(17)14-7-2-1-3-8-14/h1-5,7-10,17-18,20-21H,6,11-13H2/t17-,18+/m0/s1
InChIKeyYVSPJXHOLVICAC-ZWKOTPCHSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[(2-chlorophenyl)methyl]-2-phenylpiperidin-3-amine?
The IUPAC name of (2R,3S)-N-[(2-chlorophenyl)methyl]-2-phenylpiperidin-3-amine (CID 54529861) is (2R,3S)-N-[(2-chlorophenyl)methyl]-2-phenylpiperidin-3-amine.
What is the SMILES notation for (2R,3S)-N-[(2-chlorophenyl)methyl]-2-phenylpiperidin-3-amine?
The canonical SMILES for (2R,3S)-N-[(2-chlorophenyl)methyl]-2-phenylpiperidin-3-amine is Clc1ccccc1CN[C@H]1CCCN[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-N-[(2-chlorophenyl)methyl]-2-phenylpiperidin-3-amine?
The InChIKey is YVSPJXHOLVICAC-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H21ClN2/c19-16-10-5-4-9-15(16)13-21-17-11-6-12-20-18(17)14-7-2-1-3-8-14/h1-5,7-10,17-18,20-21H,6,11-13H2/t17-,18+/m0/s1.
What are the key properties of (2R,3S)-N-[(2-chlorophenyl)methyl]-2-phenylpiperidin-3-amine?
(2R,3S)-N-[(2-chlorophenyl)methyl]-2-phenylpiperidin-3-amine has a molecular weight of 300.83 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[(2-chlorophenyl)methyl]-2-phenylpiperidin-3-amine is sourced from PubChem (CID 54529861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).