1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol

C20H24ClNO — CID 3039648

IUPAC1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol
SMILESOC(CCN1CCCCC1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H24ClNO/c21-19-10-8-17(9-11-19)16-4-6-18(7-5-16)20(23)12-15-22-13-2-1-3-14-22/h4-11,20,23H,1-3,12-15H2
InChIKeyCIYOUDPREVSLBI-UHFFFAOYSA-N
MW329.87 g/mol
LogP4.92
Rot. Bonds5

About 1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol

1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol (PubChem CID 3039648) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol
PubChem CID3039648
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol
SMILESOC(CCN1CCCCC1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H24ClNO/c21-19-10-8-17(9-11-19)16-4-6-18(7-5-16)20(23)12-15-22-13-2-1-3-14-22/h4-11,20,23H,1-3,12-15H2
InChIKeyCIYOUDPREVSLBI-UHFFFAOYSA-N
XLogP4.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Levocloperastine
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5-(4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl)-2,2-diphenylpentanenitrile
CID 9889700
(+)-(S)-Eliprodil
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Dihydrohaloperidol, (S)-
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1-Benzhydryl-4-(4-chlorophenyl)piperidin-4-ol
CID 10091033
2-(4-Chlorophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol;hydrochloride
CID 45489280
1-[2-(3-Chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-ol
CID 46890906

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol?
The IUPAC name of 1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol (CID 3039648) is 1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol.
What is the SMILES notation for 1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol?
The canonical SMILES for 1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol is OC(CCN1CCCCC1)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol?
The InChIKey is CIYOUDPREVSLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO/c21-19-10-8-17(9-11-19)16-4-6-18(7-5-16)20(23)12-15-22-13-2-1-3-14-22/h4-11,20,23H,1-3,12-15H2.
What are the key properties of 1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol?
1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol has a molecular weight of 329.87 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol is sourced from PubChem (CID 3039648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).