1-[(2-chloro-4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one

C12H13ClFNO2 — CID 144850823

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one
SMILESO=C1CCCC(O)N1Cc1ccc(F)cc1Cl
InChIInChI=1S/C12H13ClFNO2/c13-10-6-9(14)5-4-8(10)7-15-11(16)2-1-3-12(15)17/h4-6,11,16H,1-3,7H2
InChIKeyHDYSSUYSIZSZKF-UHFFFAOYSA-N
MW257.69 g/mol
LogP2.31
Rot. Bonds2

About 1-[(2-chloro-4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one

1-[(2-chloro-4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one (PubChem CID 144850823) has the molecular formula C12H13ClFNO2 and a molecular weight of 257.69 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one
PubChem CID144850823
Molecular FormulaC12H13ClFNO2
Molecular Weight257.69 g/mol
Exact Mass257.06
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one
SMILESO=C1CCCC(O)N1Cc1ccc(F)cc1Cl
InChIInChI=1S/C12H13ClFNO2/c13-10-6-9(14)5-4-8(10)7-15-11(16)2-1-3-12(15)17/h4-6,11,16H,1-3,7H2
InChIKeyHDYSSUYSIZSZKF-UHFFFAOYSA-N
XLogP2.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.69
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-Chlorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one
CID 24817812
1-(2-Chloro-6-fluorobenzoyl)-4-(2-methoxyethyl)piperidine
CID 53150831
9-(2-Chloro-4-fluorobenzyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70765699
N-[1-[(2-chloro-6-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide
CID 156601731
5-[4-[(2-Chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 2810275
(2-Chloro-3-fluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 71683186
(6S)-1-[(4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one
CID 124290441
1-Benzyl-5-(hydroxymethyl)piperidin-2-one
CID 53360560
1-(3-Chloro-4-fluorobenzyl)piperidin-2-one
CID 66997683
1-[(2-Chloro-4-fluorophenyl)methyl]-3-fluoropiperidin-2-one
CID 118110917
1-[(2-Chloro-4-fluorophenyl)methyl]piperidin-2-one
CID 118111401
(5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2-chloro-4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one
CID 123395681

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one (CID 144850823) is 1-[(2-chloro-4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one is O=C1CCCC(O)N1Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one?
The InChIKey is HDYSSUYSIZSZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO2/c13-10-6-9(14)5-4-8(10)7-15-11(16)2-1-3-12(15)17/h4-6,11,16H,1-3,7H2.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one?
1-[(2-chloro-4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one has a molecular weight of 257.69 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one is sourced from PubChem (CID 144850823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).