(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone

C13H15F2NO — CID 588075

IUPAC(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C13H15F2NO/c1-9-4-6-16(7-5-9)13(17)11-3-2-10(14)8-12(11)15/h2-3,8-9H,4-7H2,1H3
InChIKeyHULIJBRQXQZUBY-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.84
Rot. Bonds1

About (2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone

(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 588075) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
PubChem CID588075
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC Name(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C13H15F2NO/c1-9-4-6-16(7-5-9)13(17)11-3-2-10(14)8-12(11)15/h2-3,8-9H,4-7H2,1H3
InChIKeyHULIJBRQXQZUBY-UHFFFAOYSA-N
XLogP2.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone 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-difluorophenyl)-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90585099
[4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63595679
[4-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63398395
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 78803342
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
(2-amino-4-fluorophenyl)-(4-methylazepan-1-yl)methanone
CID 63627576
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 48734174
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 48868982
(3-aminopyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
CID 62069041
(3-bromopyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
CID 80677225
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-difluorophenyl)methanone
CID 115276649
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide
CID 108562134

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone (CID 588075) is (2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of (2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is HULIJBRQXQZUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO/c1-9-4-6-16(7-5-9)13(17)11-3-2-10(14)8-12(11)15/h2-3,8-9H,4-7H2,1H3.
What are the key properties of (2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone?
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 239.26 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 588075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).