(2,4-difluorophenyl)-piperidin-3-ylmethanone

C12H13F2NO — CID 24689284

IUPAC(2,4-difluorophenyl)-piperidin-3-ylmethanone
SMILESO=C(c1ccc(F)cc1F)C1CCCNC1
InChIInChI=1S/C12H13F2NO/c13-9-3-4-10(11(14)6-9)12(16)8-2-1-5-15-7-8/h3-4,6,8,15H,1-2,5,7H2
InChIKeyPJHKZGYTRYQFPX-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.15
Rot. Bonds2

About (2,4-difluorophenyl)-piperidin-3-ylmethanone

(2,4-difluorophenyl)-piperidin-3-ylmethanone (PubChem CID 24689284) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is (2,4-difluorophenyl)-piperidin-3-ylmethanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-piperidin-3-ylmethanone
PubChem CID24689284
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name(2,4-difluorophenyl)-piperidin-3-ylmethanone
SMILESO=C(c1ccc(F)cc1F)C1CCCNC1
InChIInChI=1S/C12H13F2NO/c13-9-3-4-10(11(14)6-9)12(16)8-2-1-5-15-7-8/h3-4,6,8,15H,1-2,5,7H2
InChIKeyPJHKZGYTRYQFPX-UHFFFAOYSA-N
XLogP2.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 103397092
(4-chloro-2-methylphenyl)-piperidin-3-ylmethanone;hydrochloride
CID 154891669
(3-bromo-4-fluorophenyl)-piperidin-3-ylmethanone
CID 79736726
(3-bromo-2-fluorophenyl)-piperidin-3-ylmethanone
CID 106647090
(2,4-difluorophenyl)-(thietan-3-yl)methanone
CID 164657486
(2,4-difluorophenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone
CID 60978149
[4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 119771196
(2-amino-4-fluorophenyl)-piperidin-4-ylmethanone
CID 105479129
(5-chloro-2-fluorophenyl)-pyrrolidin-3-ylmethanone
CID 116916892
(6-fluoro-1H-indol-3-yl)-pyrrolidin-3-ylmethanone
CID 84695539
[4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119771195
2-fluoro-4-[[(3S)-piperidine-3-carbonyl]amino]benzoic acid
CID 107795041

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-piperidin-3-ylmethanone?
The IUPAC name of (2,4-difluorophenyl)-piperidin-3-ylmethanone (CID 24689284) is (2,4-difluorophenyl)-piperidin-3-ylmethanone.
What is the SMILES notation for (2,4-difluorophenyl)-piperidin-3-ylmethanone?
The canonical SMILES for (2,4-difluorophenyl)-piperidin-3-ylmethanone is O=C(c1ccc(F)cc1F)C1CCCNC1.
What is the InChIKey of (2,4-difluorophenyl)-piperidin-3-ylmethanone?
The InChIKey is PJHKZGYTRYQFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c13-9-3-4-10(11(14)6-9)12(16)8-2-1-5-15-7-8/h3-4,6,8,15H,1-2,5,7H2.
What are the key properties of (2,4-difluorophenyl)-piperidin-3-ylmethanone?
(2,4-difluorophenyl)-piperidin-3-ylmethanone has a molecular weight of 225.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-piperidin-3-ylmethanone is sourced from PubChem (CID 24689284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).