3-[(2-chloro-6-fluorophenyl)methyl]-1-(4-hydroxycyclohexyl)piperidin-2-one

C18H23ClFNO2 — CID 59299400

IUPAC3-[(2-chloro-6-fluorophenyl)methyl]-1-(4-hydroxycyclohexyl)piperidin-2-one
SMILESO=C1C(Cc2c(F)cccc2Cl)CCCN1C1CCC(O)CC1
InChIInChI=1S/C18H23ClFNO2/c19-16-4-1-5-17(20)15(16)11-12-3-2-10-21(18(12)23)13-6-8-14(22)9-7-13/h1,4-5,12-14,22H,2-3,6-11H2
InChIKeyHCFASTIPSRWIDB-UHFFFAOYSA-N
MW339.84 g/mol
LogP3.56
Rot. Bonds3

About 3-[(2-chloro-6-fluorophenyl)methyl]-1-(4-hydroxycyclohexyl)piperidin-2-one

3-[(2-chloro-6-fluorophenyl)methyl]-1-(4-hydroxycyclohexyl)piperidin-2-one (PubChem CID 59299400) has the molecular formula C18H23ClFNO2 and a molecular weight of 339.84 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methyl]-1-(4-hydroxycyclohexyl)piperidin-2-one.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methyl]-1-(4-hydroxycyclohexyl)piperidin-2-one
PubChem CID59299400
Molecular FormulaC18H23ClFNO2
Molecular Weight339.84 g/mol
Exact Mass339.14
IUPAC Name3-[(2-chloro-6-fluorophenyl)methyl]-1-(4-hydroxycyclohexyl)piperidin-2-one
SMILESO=C1C(Cc2c(F)cccc2Cl)CCCN1C1CCC(O)CC1
InChIInChI=1S/C18H23ClFNO2/c19-16-4-1-5-17(20)15(16)11-12-3-2-10-21(18(12)23)13-6-8-14(22)9-7-13/h1,4-5,12-14,22H,2-3,6-11H2
InChIKeyHCFASTIPSRWIDB-UHFFFAOYSA-N
XLogP3.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-1-(4-hydroxycyclohexyl)piperidin-2-one?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-1-(4-hydroxycyclohexyl)piperidin-2-one (CID 59299400) is 3-[(2-chloro-6-fluorophenyl)methyl]-1-(4-hydroxycyclohexyl)piperidin-2-one.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methyl]-1-(4-hydroxycyclohexyl)piperidin-2-one?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methyl]-1-(4-hydroxycyclohexyl)piperidin-2-one is O=C1C(Cc2c(F)cccc2Cl)CCCN1C1CCC(O)CC1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methyl]-1-(4-hydroxycyclohexyl)piperidin-2-one?
The InChIKey is HCFASTIPSRWIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClFNO2/c19-16-4-1-5-17(20)15(16)11-12-3-2-10-21(18(12)23)13-6-8-14(22)9-7-13/h1,4-5,12-14,22H,2-3,6-11H2.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methyl]-1-(4-hydroxycyclohexyl)piperidin-2-one?
3-[(2-chloro-6-fluorophenyl)methyl]-1-(4-hydroxycyclohexyl)piperidin-2-one has a molecular weight of 339.84 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methyl]-1-(4-hydroxycyclohexyl)piperidin-2-one is sourced from PubChem (CID 59299400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).