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

C18H22Cl2N2 — CID 127021371

IUPAC(2S,3S)-2-benzyl-N-(3-chlorophenyl)piperidin-3-amine;hydrochloride
SMILESCl.Clc1cccc(N[C@H]2CCCN[C@H]2Cc2ccccc2)c1
InChIInChI=1S/C18H21ClN2.ClH/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;1H/t17-,18-;/m0./s1
InChIKeyZKSUATJGATUSCA-APTPAJQOSA-N
MW337.29 g/mol
LogP4.54
Rot. Bonds4

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

(2S,3S)-2-benzyl-N-(3-chlorophenyl)piperidin-3-amine;hydrochloride (PubChem CID 127021371) has the molecular formula C18H22Cl2N2 and a molecular weight of 337.29 g/mol. Its IUPAC name is (2S,3S)-2-benzyl-N-(3-chlorophenyl)piperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(2S,3S)-2-benzyl-N-(3-chlorophenyl)piperidin-3-amine;hydrochloride
PubChem CID127021371
Molecular FormulaC18H22Cl2N2
Molecular Weight337.29 g/mol
Exact Mass336.12
IUPAC Name(2S,3S)-2-benzyl-N-(3-chlorophenyl)piperidin-3-amine;hydrochloride
SMILESCl.Clc1cccc(N[C@H]2CCCN[C@H]2Cc2ccccc2)c1
InChIInChI=1S/C18H21ClN2.ClH/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;1H/t17-,18-;/m0./s1
InChIKeyZKSUATJGATUSCA-APTPAJQOSA-N
XLogP4.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 54.54
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;hydrochloride?
The IUPAC name of (2S,3S)-2-benzyl-N-(3-chlorophenyl)piperidin-3-amine;hydrochloride (CID 127021371) is (2S,3S)-2-benzyl-N-(3-chlorophenyl)piperidin-3-amine;hydrochloride.
What is the SMILES notation for (2S,3S)-2-benzyl-N-(3-chlorophenyl)piperidin-3-amine;hydrochloride?
The canonical SMILES for (2S,3S)-2-benzyl-N-(3-chlorophenyl)piperidin-3-amine;hydrochloride is Cl.Clc1cccc(N[C@H]2CCCN[C@H]2Cc2ccccc2)c1.
What is the InChIKey of (2S,3S)-2-benzyl-N-(3-chlorophenyl)piperidin-3-amine;hydrochloride?
The InChIKey is ZKSUATJGATUSCA-APTPAJQOSA-N. The full InChI is InChI=1S/C18H21ClN2.ClH/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;1H/t17-,18-;/m0./s1.
What are the key properties of (2S,3S)-2-benzyl-N-(3-chlorophenyl)piperidin-3-amine;hydrochloride?
(2S,3S)-2-benzyl-N-(3-chlorophenyl)piperidin-3-amine;hydrochloride has a molecular weight of 337.29 g/mol, XLogP of 4.54, 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;hydrochloride is sourced from PubChem (CID 127021371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).