1-[3-[(2-chloro-6-fluorophenyl)methyl]cyclohexyl]piperidin-2-one

C18H23ClFNO — CID 69466460

IUPAC1-[3-[(2-chloro-6-fluorophenyl)methyl]cyclohexyl]piperidin-2-one
SMILESO=C1CCCCN1C1CCCC(Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C18H23ClFNO/c19-16-7-4-8-17(20)15(16)12-13-5-3-6-14(11-13)21-10-2-1-9-18(21)22/h4,7-8,13-14H,1-3,5-6,9-12H2
InChIKeySJTWZUFXRSAWJO-UHFFFAOYSA-N
MW323.84 g/mol
LogP4.59
Rot. Bonds3

About 1-[3-[(2-chloro-6-fluorophenyl)methyl]cyclohexyl]piperidin-2-one

1-[3-[(2-chloro-6-fluorophenyl)methyl]cyclohexyl]piperidin-2-one (PubChem CID 69466460) has the molecular formula C18H23ClFNO and a molecular weight of 323.84 g/mol. Its IUPAC name is 1-[3-[(2-chloro-6-fluorophenyl)methyl]cyclohexyl]piperidin-2-one.

Molecular Properties

Compound Name1-[3-[(2-chloro-6-fluorophenyl)methyl]cyclohexyl]piperidin-2-one
PubChem CID69466460
Molecular FormulaC18H23ClFNO
Molecular Weight323.84 g/mol
Exact Mass323.15
IUPAC Name1-[3-[(2-chloro-6-fluorophenyl)methyl]cyclohexyl]piperidin-2-one
SMILESO=C1CCCCN1C1CCCC(Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C18H23ClFNO/c19-16-7-4-8-17(20)15(16)12-13-5-3-6-14(11-13)21-10-2-1-9-18(21)22/h4,7-8,13-14H,1-3,5-6,9-12H2
InChIKeySJTWZUFXRSAWJO-UHFFFAOYSA-N
XLogP4.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.84
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-[(2-chloro-6-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexyl]pyrrolidin-2-one
CID 69464712
3-[(2-chloro-6-fluorophenyl)methyl]cyclopentan-1-ol
CID 64513208
2-[(2-chloro-6-fluorophenyl)methyl]-4-propylcyclohexan-1-one
CID 55186341
1-[3-[[2-chloro-4-[4-[3-(dimethylamino)propoxy]phenyl]phenyl]methyl]cyclohexyl]pyrrolidin-2-one
CID 69464735
benzyl 2-[(1S,3R)-3-(2-oxopyrrolidin-1-yl)cyclohexyl]acetate
CID 158443527
5-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyrrolidin-2-one
CID 3024933
(4S)-4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one
CID 9113608
1-chloro-3-[(2,6-dichlorophenyl)methyl]cycloheptane
CID 64509532
2-[(2-chloro-6-fluorophenyl)methyl]oxirane
CID 87314733
1-[(2S)-2-[4-[(2-chloro-6-fluorophenyl)methyl]piperidine-1-carbonyl]azetidin-1-yl]prop-2-en-1-one
CID 172889386
2-[(2-chloro-6-fluorophenyl)methyl]cyclobutan-1-amine
CID 81014810
(3S)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 97130733

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-chloro-6-fluorophenyl)methyl]cyclohexyl]piperidin-2-one?
The IUPAC name of 1-[3-[(2-chloro-6-fluorophenyl)methyl]cyclohexyl]piperidin-2-one (CID 69466460) is 1-[3-[(2-chloro-6-fluorophenyl)methyl]cyclohexyl]piperidin-2-one.
What is the SMILES notation for 1-[3-[(2-chloro-6-fluorophenyl)methyl]cyclohexyl]piperidin-2-one?
The canonical SMILES for 1-[3-[(2-chloro-6-fluorophenyl)methyl]cyclohexyl]piperidin-2-one is O=C1CCCCN1C1CCCC(Cc2c(F)cccc2Cl)C1.
What is the InChIKey of 1-[3-[(2-chloro-6-fluorophenyl)methyl]cyclohexyl]piperidin-2-one?
The InChIKey is SJTWZUFXRSAWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClFNO/c19-16-7-4-8-17(20)15(16)12-13-5-3-6-14(11-13)21-10-2-1-9-18(21)22/h4,7-8,13-14H,1-3,5-6,9-12H2.
What are the key properties of 1-[3-[(2-chloro-6-fluorophenyl)methyl]cyclohexyl]piperidin-2-one?
1-[3-[(2-chloro-6-fluorophenyl)methyl]cyclohexyl]piperidin-2-one has a molecular weight of 323.84 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-chloro-6-fluorophenyl)methyl]cyclohexyl]piperidin-2-one is sourced from PubChem (CID 69466460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).