2-(4-chloro-2-fluorophenyl)-1-piperidin-4-ylethanone

C13H15ClFNO — CID 114863179

IUPAC2-(4-chloro-2-fluorophenyl)-1-piperidin-4-ylethanone
SMILESO=C(Cc1ccc(Cl)cc1F)C1CCNCC1
InChIInChI=1S/C13H15ClFNO/c14-11-2-1-10(12(15)8-11)7-13(17)9-3-5-16-6-4-9/h1-2,8-9,16H,3-7H2
InChIKeyQSTJQYIGVGGZRA-UHFFFAOYSA-N
MW255.72 g/mol
LogP2.59
Rot. Bonds3

About 2-(4-chloro-2-fluorophenyl)-1-piperidin-4-ylethanone

2-(4-chloro-2-fluorophenyl)-1-piperidin-4-ylethanone (PubChem CID 114863179) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-piperidin-4-ylethanone.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-piperidin-4-ylethanone
PubChem CID114863179
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-piperidin-4-ylethanone
SMILESO=C(Cc1ccc(Cl)cc1F)C1CCNCC1
InChIInChI=1S/C13H15ClFNO/c14-11-2-1-10(12(15)8-11)7-13(17)9-3-5-16-6-4-9/h1-2,8-9,16H,3-7H2
InChIKeyQSTJQYIGVGGZRA-UHFFFAOYSA-N
XLogP2.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chloro-2-fluorophenyl)-1-piperidin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 114853673
1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpropan-2-one
CID 114863265
2-(4-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone
CID 114853742
4-(4-chloro-2-fluorophenyl)-1-cyclopropylbutan-1-one
CID 114859961
1-cyclopropyl-2-(2,4-difluorophenyl)ethanone
CID 23138773
2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 103047938
2-(2-bromo-4-chlorophenyl)-1-cyclopropylethanone
CID 162682216
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
1-(2-aminocyclohexyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 114863391
2-(4-chloro-2-fluorophenyl)-N-cyclopropylacetamide
CID 56920036
2-(3,5-difluorophenyl)-1-piperidin-4-ylethanone
CID 105411850
(5-chloro-2-fluorophenyl)-pyrrolidin-3-ylmethanone
CID 116916892

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-piperidin-4-ylethanone?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-piperidin-4-ylethanone (CID 114863179) is 2-(4-chloro-2-fluorophenyl)-1-piperidin-4-ylethanone.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-piperidin-4-ylethanone?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-piperidin-4-ylethanone is O=C(Cc1ccc(Cl)cc1F)C1CCNCC1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-piperidin-4-ylethanone?
The InChIKey is QSTJQYIGVGGZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c14-11-2-1-10(12(15)8-11)7-13(17)9-3-5-16-6-4-9/h1-2,8-9,16H,3-7H2.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-piperidin-4-ylethanone?
2-(4-chloro-2-fluorophenyl)-1-piperidin-4-ylethanone has a molecular weight of 255.72 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1-piperidin-4-ylethanone is sourced from PubChem (CID 114863179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).