2-(2,4-difluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone

C14H17F2NO — CID 110488890

IUPAC2-(2,4-difluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)Cc2ccc(F)cc2F)C1
InChIInChI=1S/C14H17F2NO/c1-10-3-2-6-17(9-10)14(18)7-11-4-5-12(15)8-13(11)16/h4-5,8,10H,2-3,6-7,9H2,1H3
InChIKeyBUZFLZBRAUVBRW-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.77
Rot. Bonds2

About 2-(2,4-difluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone

2-(2,4-difluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 110488890) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID110488890
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name2-(2,4-difluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)Cc2ccc(F)cc2F)C1
InChIInChI=1S/C14H17F2NO/c1-10-3-2-6-17(9-10)14(18)7-11-4-5-12(15)8-13(11)16/h4-5,8,10H,2-3,6-7,9H2,1H3
InChIKeyBUZFLZBRAUVBRW-UHFFFAOYSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-1-[2-(2,4-difluorophenyl)acetyl]piperidine-3-carboxylic acid
CID 81120918
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
1-(3-bromo-4-methylpiperidin-1-yl)-2-(2,4-difluorophenyl)ethanone
CID 102962097
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2,4-difluorophenyl)ethanone;hydrochloride
CID 120727582
2-[4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(3-methylpiperidin-1-yl)ethanone
CID 170456821
2-(2,4-difluorophenyl)-1-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]ethanone
CID 97051443
2-(2,4-difluorophenyl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 86284380
1-[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]-2-(2,4-difluorophenyl)ethanone
CID 133114383
2-(2,4-difluorophenyl)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255916
1-(4-bromopiperidin-1-yl)-2-(2,4-difluorophenyl)ethanone
CID 80662068
2-(5-chloro-2-hydroxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 154873747
1-[(3R)-3-aminopiperidin-1-yl]-2-(2,5-difluorophenyl)ethanone
CID 176515261

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone (CID 110488890) is 2-(2,4-difluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone is CC1CCCN(C(=O)Cc2ccc(F)cc2F)C1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is BUZFLZBRAUVBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c1-10-3-2-6-17(9-10)14(18)7-11-4-5-12(15)8-13(11)16/h4-5,8,10H,2-3,6-7,9H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone?
2-(2,4-difluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 253.29 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 110488890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).