1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-ol

C20H24ClNO — CID 46890906

IUPAC1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-ol
SMILESOC(CCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1
InChIInChI=1S/C20H24ClNO/c21-17-5-3-4-16(14-17)18-6-1-2-7-19(18)20(23)9-8-15-10-12-22-13-11-15/h1-7,14-15,20,22-23H,8-13H2
InChIKeyXFNFSPCSZMPISP-UHFFFAOYSA-N
MW329.87 g/mol
LogP4.82
Rot. Bonds5

About 1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-ol

1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-ol (PubChem CID 46890906) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-ol.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-ol
PubChem CID46890906
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-ol
SMILESOC(CCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1
InChIInChI=1S/C20H24ClNO/c21-17-5-3-4-16(14-17)18-6-1-2-7-19(18)20(23)9-8-15-10-12-22-13-11-15/h1-7,14-15,20,22-23H,8-13H2
InChIKeyXFNFSPCSZMPISP-UHFFFAOYSA-N
XLogP4.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

SB-612111
CID 10047612
1-(3-Chlorophenyl)-2-(isopropylamino)ethanol
CID 19913640
N-[3-(4-Methylphenyl)-1-methylpropyl]-2-hydroxy-2-(3-chlorophenyl)ethanamine
CID 23322179
(R)-2-(2-chlorophenyl)-1-((S)-morpholin-2-yl)-1-phenylethanol
CID 44410092
Setazindol
CID 193099
(1R)-1-(3-chlorophenyl)-2-[1-(4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride
CID 44522710
1-(3-Chlorophenyl)-2-[1-[4-[6-(methylamino)hexyl]phenyl]propan-2-ylamino]ethanol;hydrochloride
CID 44522740
1-(3-Chlorophenyl)-2-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride
CID 44522769
N-[2-(4-Methylphenyl)-1-methylethyl]-2-hydroxy-2-(3-chlorophenyl)ethanamine
CID 18628125
(1S)-2-(3-chloro-4-fluorophenyl)-3-(methylamino)-1-phenylpropan-1-ol
CID 118689233
[2-(Piperidin-4-yl)phenyl]methanol
CID 21936927
2-[(3-Chlorobenzyl)amino]-1-phenylethanol hydrochloride
CID 6457628

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-ol?
The IUPAC name of 1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-ol (CID 46890906) is 1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-ol.
What is the SMILES notation for 1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-ol?
The canonical SMILES for 1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-ol is OC(CCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-ol?
The InChIKey is XFNFSPCSZMPISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO/c21-17-5-3-4-16(14-17)18-6-1-2-7-19(18)20(23)9-8-15-10-12-22-13-11-15/h1-7,14-15,20,22-23H,8-13H2.
What are the key properties of 1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-ol?
1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-ol has a molecular weight of 329.87 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-ol is sourced from PubChem (CID 46890906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).