3-(2-chlorophenyl)-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one

C15H20ClNO2 — CID 109378493

IUPAC3-(2-chlorophenyl)-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one
SMILESCC(Cc1ccccc1Cl)C(=O)N1CCC(O)CC1
InChIInChI=1S/C15H20ClNO2/c1-11(10-12-4-2-3-5-14(12)16)15(19)17-8-6-13(18)7-9-17/h2-5,11,13,18H,6-10H2,1H3
InChIKeyQFUOPYCEAKQSDU-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.50
Rot. Bonds3

About 3-(2-chlorophenyl)-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one

3-(2-chlorophenyl)-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one (PubChem CID 109378493) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one
PubChem CID109378493
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name3-(2-chlorophenyl)-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one
SMILESCC(Cc1ccccc1Cl)C(=O)N1CCC(O)CC1
InChIInChI=1S/C15H20ClNO2/c1-11(10-12-4-2-3-5-14(12)16)15(19)17-8-6-13(18)7-9-17/h2-5,11,13,18H,6-10H2,1H3
InChIKeyQFUOPYCEAKQSDU-UHFFFAOYSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-2-methyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120997146
3-(2-chlorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpropanamide
CID 109379709
3-(2-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 71857988
2-amino-6-[1-[(2R)-3-(2-chlorophenyl)-2-methylpropanoyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide
CID 92640003
2-(2-chlorophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43417497
2-chloro-N-[1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 110878743
3-(2,4-dichlorophenyl)-2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 119563571
4-(2-chlorophenyl)-3-methylbutan-2-one
CID 59397015
(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 40999440
N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpiperidine-1-carboxamide
CID 110675399
3-(2-fluorophenyl)-2-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119546479
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide
CID 110822854

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 3-(2-chlorophenyl)-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one (CID 109378493) is 3-(2-chlorophenyl)-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 3-(2-chlorophenyl)-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one is CC(Cc1ccccc1Cl)C(=O)N1CCC(O)CC1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one?
The InChIKey is QFUOPYCEAKQSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-11(10-12-4-2-3-5-14(12)16)15(19)17-8-6-13(18)7-9-17/h2-5,11,13,18H,6-10H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one?
3-(2-chlorophenyl)-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one has a molecular weight of 281.78 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 109378493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).