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

C18H23Cl3N2 — CID 127022016

IUPAC(2S,3S)-2-[(3-chlorophenyl)methyl]-N-phenylpiperidin-3-amine;dihydrochloride
SMILESCl.Cl.Clc1cccc(C[C@@H]2NCCC[C@@H]2Nc2ccccc2)c1
InChIInChI=1S/C18H21ClN2.2ClH/c19-15-7-4-6-14(12-15)13-18-17(10-5-11-20-18)21-16-8-2-1-3-9-16;;/h1-4,6-9,12,17-18,20-21H,5,10-11,13H2;2*1H/t17-,18-;;/m0../s1
InChIKeyIBCLJICYOJXHFF-MPGISEFESA-N
MW373.75 g/mol
LogP4.96
Rot. Bonds4

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

(2S,3S)-2-[(3-chlorophenyl)methyl]-N-phenylpiperidin-3-amine;dihydrochloride (PubChem CID 127022016) has the molecular formula C18H23Cl3N2 and a molecular weight of 373.75 g/mol. Its IUPAC name is (2S,3S)-2-[(3-chlorophenyl)methyl]-N-phenylpiperidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name(2S,3S)-2-[(3-chlorophenyl)methyl]-N-phenylpiperidin-3-amine;dihydrochloride
PubChem CID127022016
Molecular FormulaC18H23Cl3N2
Molecular Weight373.75 g/mol
Exact Mass372.09
IUPAC Name(2S,3S)-2-[(3-chlorophenyl)methyl]-N-phenylpiperidin-3-amine;dihydrochloride
SMILESCl.Cl.Clc1cccc(C[C@@H]2NCCC[C@@H]2Nc2ccccc2)c1
InChIInChI=1S/C18H21ClN2.2ClH/c19-15-7-4-6-14(12-15)13-18-17(10-5-11-20-18)21-16-8-2-1-3-9-16;;/h1-4,6-9,12,17-18,20-21H,5,10-11,13H2;2*1H/t17-,18-;;/m0../s1
InChIKeyIBCLJICYOJXHFF-MPGISEFESA-N
XLogP4.96
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.75
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[(3-chlorophenyl)methyl]-N-phenylpiperidin-3-amine;dihydrochloride?
The IUPAC name of (2S,3S)-2-[(3-chlorophenyl)methyl]-N-phenylpiperidin-3-amine;dihydrochloride (CID 127022016) is (2S,3S)-2-[(3-chlorophenyl)methyl]-N-phenylpiperidin-3-amine;dihydrochloride.
What is the SMILES notation for (2S,3S)-2-[(3-chlorophenyl)methyl]-N-phenylpiperidin-3-amine;dihydrochloride?
The canonical SMILES for (2S,3S)-2-[(3-chlorophenyl)methyl]-N-phenylpiperidin-3-amine;dihydrochloride is Cl.Cl.Clc1cccc(C[C@@H]2NCCC[C@@H]2Nc2ccccc2)c1.
What is the InChIKey of (2S,3S)-2-[(3-chlorophenyl)methyl]-N-phenylpiperidin-3-amine;dihydrochloride?
The InChIKey is IBCLJICYOJXHFF-MPGISEFESA-N. The full InChI is InChI=1S/C18H21ClN2.2ClH/c19-15-7-4-6-14(12-15)13-18-17(10-5-11-20-18)21-16-8-2-1-3-9-16;;/h1-4,6-9,12,17-18,20-21H,5,10-11,13H2;2*1H/t17-,18-;;/m0../s1.
What are the key properties of (2S,3S)-2-[(3-chlorophenyl)methyl]-N-phenylpiperidin-3-amine;dihydrochloride?
(2S,3S)-2-[(3-chlorophenyl)methyl]-N-phenylpiperidin-3-amine;dihydrochloride has a molecular weight of 373.75 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[(3-chlorophenyl)methyl]-N-phenylpiperidin-3-amine;dihydrochloride is sourced from PubChem (CID 127022016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).