(2,4-difluorophenyl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone

C15H19F2NO2 — CID 79549414

IUPAC(2,4-difluorophenyl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone
SMILESCC(O)CC1CCCCN1C(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H19F2NO2/c1-10(19)8-12-4-2-3-7-18(12)15(20)13-6-5-11(16)9-14(13)17/h5-6,9-10,12,19H,2-4,7-8H2,1H3
InChIKeyCFGIHDHAIOISQW-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.73
Rot. Bonds3

About (2,4-difluorophenyl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone

(2,4-difluorophenyl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone (PubChem CID 79549414) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone
PubChem CID79549414
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name(2,4-difluorophenyl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone
SMILESCC(O)CC1CCCCN1C(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H19F2NO2/c1-10(19)8-12-4-2-3-7-18(12)15(20)13-6-5-11(16)9-14(13)17/h5-6,9-10,12,19H,2-4,7-8H2,1H3
InChIKeyCFGIHDHAIOISQW-UHFFFAOYSA-N
XLogP2.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-2-hydroxyphenyl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone
CID 107015756
(4-fluoro-2-hydroxyphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 107015758
(5-fluoro-2-methylphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 79540818
[2-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 55186080
(2-fluoro-5-methylphenyl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 79546955
(2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2347956
(4-fluoro-3-methylphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 79539952
(2,4-difluorophenyl)-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone
CID 94813326
(2-chlorofuran-3-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 112748131
[2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone
CID 107015808
[2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-iodophenyl)methanone
CID 113265487
(3,5-dihydroxyphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 107704806

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone (CID 79549414) is (2,4-difluorophenyl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone is CC(O)CC1CCCCN1C(=O)c1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone?
The InChIKey is CFGIHDHAIOISQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-10(19)8-12-4-2-3-7-18(12)15(20)13-6-5-11(16)9-14(13)17/h5-6,9-10,12,19H,2-4,7-8H2,1H3.
What are the key properties of (2,4-difluorophenyl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone?
(2,4-difluorophenyl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone has a molecular weight of 283.32 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 79549414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).