2-(4-chlorophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol;hydrochloride

C21H27Cl2NO — CID 45489280

IUPAC2-(4-chlorophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol;hydrochloride
SMILESCC(O)(c1ccc(Cl)cc1)C(CN1CCCCC1)c1ccccc1.Cl
InChIInChI=1S/C21H26ClNO.ClH/c1-21(24,18-10-12-19(22)13-11-18)20(17-8-4-2-5-9-17)16-23-14-6-3-7-15-23;/h2,4-5,8-13,20,24H,3,6-7,14-16H2,1H3;1H
InChIKeyNTHPIZPRBUBXHK-UHFFFAOYSA-N
MW380.36 g/mol
LogP5.24
Rot. Bonds5

About 2-(4-chlorophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol;hydrochloride

2-(4-chlorophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol;hydrochloride (PubChem CID 45489280) has the molecular formula C21H27Cl2NO and a molecular weight of 380.36 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol;hydrochloride
PubChem CID45489280
Molecular FormulaC21H27Cl2NO
Molecular Weight380.36 g/mol
Exact Mass379.15
IUPAC Name2-(4-chlorophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol;hydrochloride
SMILESCC(O)(c1ccc(Cl)cc1)C(CN1CCCCC1)c1ccccc1.Cl
InChIInChI=1S/C21H26ClNO.ClH/c1-21(24,18-10-12-19(22)13-11-18)20(17-8-4-2-5-9-17)16-23-14-6-3-7-15-23;/h2,4-5,8-13,20,24H,3,6-7,14-16H2,1H3;1H
InChIKeyNTHPIZPRBUBXHK-UHFFFAOYSA-N
XLogP5.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.36
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol;hydrochloride (CID 45489280) is 2-(4-chlorophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol;hydrochloride is CC(O)(c1ccc(Cl)cc1)C(CN1CCCCC1)c1ccccc1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol;hydrochloride?
The InChIKey is NTHPIZPRBUBXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO.ClH/c1-21(24,18-10-12-19(22)13-11-18)20(17-8-4-2-5-9-17)16-23-14-6-3-7-15-23;/h2,4-5,8-13,20,24H,3,6-7,14-16H2,1H3;1H.
What are the key properties of 2-(4-chlorophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol;hydrochloride?
2-(4-chlorophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol;hydrochloride has a molecular weight of 380.36 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol;hydrochloride is sourced from PubChem (CID 45489280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).