(2,3-difluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone

C14H17F2NO — CID 593303

IUPAC(2,3-difluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone
SMILESCc1cc(F)c(F)c(C(=O)N2CCCCC2C)c1
InChIInChI=1S/C14H17F2NO/c1-9-7-11(13(16)12(15)8-9)14(18)17-6-4-3-5-10(17)2/h7-8,10H,3-6H2,1-2H3
InChIKeyLHNADYNKNWXSIM-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.29
Rot. Bonds1

About (2,3-difluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone

(2,3-difluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 593303) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is (2,3-difluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,3-difluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone
PubChem CID593303
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name(2,3-difluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone
SMILESCc1cc(F)c(F)c(C(=O)N2CCCCC2C)c1
InChIInChI=1S/C14H17F2NO/c1-9-7-11(13(16)12(15)8-9)14(18)17-6-4-3-5-10(17)2/h7-8,10H,3-6H2,1-2H3
InChIKeyLHNADYNKNWXSIM-UHFFFAOYSA-N
XLogP3.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2347956
(4-bromo-2-fluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 167312115
(2-chloro-5,6-difluoro-3-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 876122
2,5-difluoro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65369072
(3-amino-5-fluoro-4-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 60861512
(2-methylpyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 110728179
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 35523795
(5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 61146717
(2-bromo-5-fluoro-4-methylphenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 172913966
(4-methylphenyl)-[2-(2-methylpiperidine-1-carbonyl)phenyl]methanone
CID 112811380
(4-fluoro-2-iodophenyl)-(2-methylazepan-1-yl)methanone
CID 113236236
(4-chloro-2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43176497

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (2,3-difluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone (CID 593303) is (2,3-difluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,3-difluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2,3-difluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone is Cc1cc(F)c(F)c(C(=O)N2CCCCC2C)c1.
What is the InChIKey of (2,3-difluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is LHNADYNKNWXSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c1-9-7-11(13(16)12(15)8-9)14(18)17-6-4-3-5-10(17)2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of (2,3-difluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone?
(2,3-difluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 253.29 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 593303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).