(4-chlorophenyl)-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methanone

C20H22ClNO2 — CID 110902032

IUPAC(4-chlorophenyl)-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C20H22ClNO2/c21-18-8-6-16(7-9-18)20(24)17-10-12-22(13-11-17)14-19(23)15-4-2-1-3-5-15/h1-9,17,19,23H,10-14H2
InChIKeyCNAUFJIOMYUNFR-UHFFFAOYSA-N
MW343.85 g/mol
LogP3.97
Rot. Bonds5

About (4-chlorophenyl)-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methanone

(4-chlorophenyl)-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methanone (PubChem CID 110902032) has the molecular formula C20H22ClNO2 and a molecular weight of 343.85 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methanone
PubChem CID110902032
Molecular FormulaC20H22ClNO2
Molecular Weight343.85 g/mol
Exact Mass343.13
IUPAC Name(4-chlorophenyl)-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C20H22ClNO2/c21-18-8-6-16(7-9-18)20(24)17-10-12-22(13-11-17)14-19(23)15-4-2-1-3-5-15/h1-9,17,19,23H,10-14H2
InChIKeyCNAUFJIOMYUNFR-UHFFFAOYSA-N
XLogP3.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone
CID 57128692
1-[(2R)-2-hydroxy-2-phenylethyl]piperidine-4-carboxamide
CID 718707
azepan-1-yl-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone
CID 46536157
methyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate
CID 60632376
(4-chlorophenyl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
CID 60561002
[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-phenylmethanone
CID 111487256
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-N-cyclohexylpiperidine-4-carboxamide
CID 95146791
[1-[2-(4-chlorophenyl)-2-methoxyethyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 23503572
1-(2-hydroxy-2-phenylethyl)piperidine-4-carbonitrile
CID 48940005
1-phenyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 67042484
[4-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-cyclopentylmethanone
CID 36882205
1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidine-3-carboxylic acid
CID 82215837

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methanone (CID 110902032) is (4-chlorophenyl)-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methanone is O=C(c1ccc(Cl)cc1)C1CCN(CC(O)c2ccccc2)CC1.
What is the InChIKey of (4-chlorophenyl)-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methanone?
The InChIKey is CNAUFJIOMYUNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO2/c21-18-8-6-16(7-9-18)20(24)17-10-12-22(13-11-17)14-19(23)15-4-2-1-3-5-15/h1-9,17,19,23H,10-14H2.
What are the key properties of (4-chlorophenyl)-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methanone?
(4-chlorophenyl)-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methanone has a molecular weight of 343.85 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 110902032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).