1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone

C14H18FNO — CID 4042984

IUPAC1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(CC(=O)c2ccccc2F)C1
InChIInChI=1S/C14H18FNO/c1-11-5-4-8-16(9-11)10-14(17)12-6-2-3-7-13(12)15/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKeyNCUQLIHPAJDEAY-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.74
Rot. Bonds3

About 1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone

1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone (PubChem CID 4042984) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone
PubChem CID4042984
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(CC(=O)c2ccccc2F)C1
InChIInChI=1S/C14H18FNO/c1-11-5-4-8-16(9-11)10-14(17)12-6-2-3-7-13(12)15/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKeyNCUQLIHPAJDEAY-UHFFFAOYSA-N
XLogP2.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluorophenyl)-2-(3-methylpiperidin-1-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

1-(2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanone
CID 63623184
1-(2-bromophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219429
2-(3-aminopiperidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 62037679
1-(2-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107227995
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-fluorophenyl)ethanone
CID 79943016
2-(3-methylpiperidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 43219442
2-(3-aminopyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 62069531
2-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)ethanone
CID 82051048
1-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 62025530
1-(4-fluoro-3-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 82050236
1-(2,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219443
1-(2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 66393870

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone (CID 4042984) is 1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone is CC1CCCN(CC(=O)c2ccccc2F)C1.
What is the InChIKey of 1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is NCUQLIHPAJDEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-11-5-4-8-16(9-11)10-14(17)12-6-2-3-7-13(12)15/h2-3,6-7,11H,4-5,8-10H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone?
1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 235.30 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 4042984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).