1-[4-(2-chloro-6-fluorophenyl)piperidin-4-yl]ethanone

C13H15ClFNO — CID 82299345

IUPAC1-[4-(2-chloro-6-fluorophenyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1(c2c(F)cccc2Cl)CCNCC1
InChIInChI=1S/C13H15ClFNO/c1-9(17)13(5-7-16-8-6-13)12-10(14)3-2-4-11(12)15/h2-4,16H,5-8H2,1H3
InChIKeyRGSZPBDDIIMLIT-UHFFFAOYSA-N
MW255.72 g/mol
LogP2.69
Rot. Bonds2

About 1-[4-(2-chloro-6-fluorophenyl)piperidin-4-yl]ethanone

1-[4-(2-chloro-6-fluorophenyl)piperidin-4-yl]ethanone (PubChem CID 82299345) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is 1-[4-(2-chloro-6-fluorophenyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-chloro-6-fluorophenyl)piperidin-4-yl]ethanone
PubChem CID82299345
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC Name1-[4-(2-chloro-6-fluorophenyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1(c2c(F)cccc2Cl)CCNCC1
InChIInChI=1S/C13H15ClFNO/c1-9(17)13(5-7-16-8-6-13)12-10(14)3-2-4-11(12)15/h2-4,16H,5-8H2,1H3
InChIKeyRGSZPBDDIIMLIT-UHFFFAOYSA-N
XLogP2.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(2-chloro-6-fluorophenyl)piperidin-4-yl]ethanone 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

4-Acetyl-4-phenylpiperidine
CID 101521
1-(4-Phenyl-4-piperidyl)propan-1-one hydrochloride
CID 197939
Ethanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride
CID 41069
1-Propanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride
CID 204159
4-Acetyl-4-phenylpiperidine hydrochloride
CID 2723767
1-(4-Phenylpiperidin-4-yl)butan-1-one hydrochloride
CID 3014910
1-Butanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride
CID 41071
Ethanone, 1-(4-(3-chlorophenyl)-1-(3-(1-piperidinyl)propyl)-4-piperidinyl)-, dihydrochloride
CID 43977
1-Butanone, 1-(4-(3-chlorophenyl)-1-(3-(1-piperidinyl)propyl)-4-piperidinyl)-, dihydrochloride
CID 43979
1-Pentanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride
CID 3041621
4-(2-Chlorobenzoyl)piperidine hydrochloride
CID 68756994
2-(2-Chlorophenyl)-2-[2-[di(propan-2-yl)amino]ethyl]-4-piperidin-2-ylbutanamide
CID 14569350

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloro-6-fluorophenyl)piperidin-4-yl]ethanone?
The IUPAC name of 1-[4-(2-chloro-6-fluorophenyl)piperidin-4-yl]ethanone (CID 82299345) is 1-[4-(2-chloro-6-fluorophenyl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[4-(2-chloro-6-fluorophenyl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-[4-(2-chloro-6-fluorophenyl)piperidin-4-yl]ethanone is CC(=O)C1(c2c(F)cccc2Cl)CCNCC1.
What is the InChIKey of 1-[4-(2-chloro-6-fluorophenyl)piperidin-4-yl]ethanone?
The InChIKey is RGSZPBDDIIMLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c1-9(17)13(5-7-16-8-6-13)12-10(14)3-2-4-11(12)15/h2-4,16H,5-8H2,1H3.
What are the key properties of 1-[4-(2-chloro-6-fluorophenyl)piperidin-4-yl]ethanone?
1-[4-(2-chloro-6-fluorophenyl)piperidin-4-yl]ethanone has a molecular weight of 255.72 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloro-6-fluorophenyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 82299345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).