1-(4-fluoro-2-methylphenyl)-4-piperidin-3-ylbutan-2-one

C16H22FNO — CID 114350384

IUPAC1-(4-fluoro-2-methylphenyl)-4-piperidin-3-ylbutan-2-one
SMILESCc1cc(F)ccc1CC(=O)CCC1CCCNC1
InChIInChI=1S/C16H22FNO/c1-12-9-15(17)6-5-14(12)10-16(19)7-4-13-3-2-8-18-11-13/h5-6,9,13,18H,2-4,7-8,10-11H2,1H3
InChIKeyPJXFVOYRMZEWII-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.03
Rot. Bonds5

About 1-(4-fluoro-2-methylphenyl)-4-piperidin-3-ylbutan-2-one

1-(4-fluoro-2-methylphenyl)-4-piperidin-3-ylbutan-2-one (PubChem CID 114350384) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-4-piperidin-3-ylbutan-2-one.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-4-piperidin-3-ylbutan-2-one
PubChem CID114350384
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name1-(4-fluoro-2-methylphenyl)-4-piperidin-3-ylbutan-2-one
SMILESCc1cc(F)ccc1CC(=O)CCC1CCCNC1
InChIInChI=1S/C16H22FNO/c1-12-9-15(17)6-5-14(12)10-16(19)7-4-13-3-2-8-18-11-13/h5-6,9,13,18H,2-4,7-8,10-11H2,1H3
InChIKeyPJXFVOYRMZEWII-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluoro-2-methylphenyl)-4-piperidin-3-ylbutan-2-one 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-chloro-4-fluorophenyl)-4-piperidin-3-ylbutan-2-one
CID 116562301
1-(2-bromo-4-fluorophenyl)-4-pyrrolidin-3-ylbutan-2-one
CID 116605919
1-cyclopentyl-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 115812569
1-(4-bromophenyl)-4-piperidin-3-ylbutan-2-one
CID 116562297
5-fluoro-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 55144401
1-(2,6-difluoro-3-methylphenyl)-3-piperidin-3-ylpropan-1-one
CID 116562387
1-(4-bromo-2-fluorophenyl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606101
1-(3-bromo-2,6-difluorophenyl)-4-piperidin-3-ylbutan-2-one
CID 106272548
1-(3,4-dimethylphenyl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606064
(3R)-N-[2-(4-fluoro-2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81134243
N-[(4-fluoro-2-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625464
3-[2-(2,5-difluorophenyl)ethyl]piperidine
CID 62234772

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-4-piperidin-3-ylbutan-2-one?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-4-piperidin-3-ylbutan-2-one (CID 114350384) is 1-(4-fluoro-2-methylphenyl)-4-piperidin-3-ylbutan-2-one.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-4-piperidin-3-ylbutan-2-one?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-4-piperidin-3-ylbutan-2-one is Cc1cc(F)ccc1CC(=O)CCC1CCCNC1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-4-piperidin-3-ylbutan-2-one?
The InChIKey is PJXFVOYRMZEWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-12-9-15(17)6-5-14(12)10-16(19)7-4-13-3-2-8-18-11-13/h5-6,9,13,18H,2-4,7-8,10-11H2,1H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-4-piperidin-3-ylbutan-2-one?
1-(4-fluoro-2-methylphenyl)-4-piperidin-3-ylbutan-2-one has a molecular weight of 263.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-4-piperidin-3-ylbutan-2-one is sourced from PubChem (CID 114350384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).