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

C12H13ClFNO — CID 66997683

IUPAC1-[(3-chloro-4-fluorophenyl)methyl]piperidin-2-one
SMILESO=C1CCCCN1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H13ClFNO/c13-10-7-9(4-5-11(10)14)8-15-6-2-1-3-12(15)16/h4-5,7H,1-3,6,8H2
InChIKeyGLVSMFKJMWHRMR-UHFFFAOYSA-N
MW241.69 g/mol
LogP2.99
Rot. Bonds2

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

1-[(3-chloro-4-fluorophenyl)methyl]piperidin-2-one (PubChem CID 66997683) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenyl)methyl]piperidin-2-one
PubChem CID66997683
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC Name1-[(3-chloro-4-fluorophenyl)methyl]piperidin-2-one
SMILESO=C1CCCCN1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H13ClFNO/c13-10-7-9(4-5-11(10)14)8-15-6-2-1-3-12(15)16/h4-5,7H,1-3,6,8H2
InChIKeyGLVSMFKJMWHRMR-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]piperidin-2-one?
The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]piperidin-2-one (CID 66997683) is 1-[(3-chloro-4-fluorophenyl)methyl]piperidin-2-one.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methyl]piperidin-2-one?
The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methyl]piperidin-2-one is O=C1CCCCN1Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methyl]piperidin-2-one?
The InChIKey is GLVSMFKJMWHRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO/c13-10-7-9(4-5-11(10)14)8-15-6-2-1-3-12(15)16/h4-5,7H,1-3,6,8H2.
What are the key properties of 1-[(3-chloro-4-fluorophenyl)methyl]piperidin-2-one?
1-[(3-chloro-4-fluorophenyl)methyl]piperidin-2-one has a molecular weight of 241.69 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenyl)methyl]piperidin-2-one is sourced from PubChem (CID 66997683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).