(3,4-difluorophenyl)-(4-methylpiperidin-4-yl)methanone

C13H15F2NO — CID 116567488

IUPAC(3,4-difluorophenyl)-(4-methylpiperidin-4-yl)methanone
SMILESCC1(C(=O)c2ccc(F)c(F)c2)CCNCC1
InChIInChI=1S/C13H15F2NO/c1-13(4-6-16-7-5-13)12(17)9-2-3-10(14)11(15)8-9/h2-3,8,16H,4-7H2,1H3
InChIKeyJXZJEMPLXOZROD-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.54
Rot. Bonds2

About (3,4-difluorophenyl)-(4-methylpiperidin-4-yl)methanone

(3,4-difluorophenyl)-(4-methylpiperidin-4-yl)methanone (PubChem CID 116567488) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(4-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(4-methylpiperidin-4-yl)methanone
PubChem CID116567488
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC Name(3,4-difluorophenyl)-(4-methylpiperidin-4-yl)methanone
SMILESCC1(C(=O)c2ccc(F)c(F)c2)CCNCC1
InChIInChI=1S/C13H15F2NO/c1-13(4-6-16-7-5-13)12(17)9-2-3-10(14)11(15)8-9/h2-3,8,16H,4-7H2,1H3
InChIKeyJXZJEMPLXOZROD-UHFFFAOYSA-N
XLogP2.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-3-methylphenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116570075
(3-chloro-4-methylphenyl)-(4-methylpiperidin-4-yl)methanone
CID 107561270
(4-fluorophenyl)-(4-methylpiperidin-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 86614571
(4-fluorophenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116569947
2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperidin-4-yl)methanone
CID 116567636
(4-amino-3-fluorophenyl)-(1-methylcyclohexyl)methanone
CID 106829172
(5-fluoro-2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone
CID 116567687
N-(4-chloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
CID 63121680
3,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 114760212
N-(5-carbamoyl-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119727613
1-(3,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)propan-1-one
CID 62930219
(3,5-difluorophenyl)-(1-methylcyclohexyl)methanone
CID 106829567

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(4-methylpiperidin-4-yl)methanone?
The IUPAC name of (3,4-difluorophenyl)-(4-methylpiperidin-4-yl)methanone (CID 116567488) is (3,4-difluorophenyl)-(4-methylpiperidin-4-yl)methanone.
What is the SMILES notation for (3,4-difluorophenyl)-(4-methylpiperidin-4-yl)methanone?
The canonical SMILES for (3,4-difluorophenyl)-(4-methylpiperidin-4-yl)methanone is CC1(C(=O)c2ccc(F)c(F)c2)CCNCC1.
What is the InChIKey of (3,4-difluorophenyl)-(4-methylpiperidin-4-yl)methanone?
The InChIKey is JXZJEMPLXOZROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO/c1-13(4-6-16-7-5-13)12(17)9-2-3-10(14)11(15)8-9/h2-3,8,16H,4-7H2,1H3.
What are the key properties of (3,4-difluorophenyl)-(4-methylpiperidin-4-yl)methanone?
(3,4-difluorophenyl)-(4-methylpiperidin-4-yl)methanone has a molecular weight of 239.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(4-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 116567488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).