(2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone

C12H13F2NO2 — CID 68625081

IUPAC(2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1F)N1CCC[C@@H](O)C1
InChIInChI=1S/C12H13F2NO2/c13-8-3-4-10(11(14)6-8)12(17)15-5-1-2-9(16)7-15/h3-4,6,9,16H,1-2,5,7H2/t9-/m1/s1
InChIKeyJLJWXZCKERWIIE-SECBINFHSA-N
MW241.24 g/mol
LogP1.56
Rot. Bonds1

About (2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone

(2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone (PubChem CID 68625081) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
PubChem CID68625081
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name(2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1F)N1CCC[C@@H](O)C1
InChIInChI=1S/C12H13F2NO2/c13-8-3-4-10(11(14)6-8)12(17)15-5-1-2-9(16)7-15/h3-4,6,9,16H,1-2,5,7H2/t9-/m1/s1
InChIKeyJLJWXZCKERWIIE-SECBINFHSA-N
XLogP1.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4-fluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 93032513
(5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 79883095
[3-(aminomethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone;hydrochloride
CID 119465009
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2,4-difluorophenyl)methanone
CID 45147487
4,5-difluoro-2-[(3S)-3-hydroxypiperidine-1-carbonyl]benzoic acid
CID 107214958
[2-fluoro-4-[2-(4-methylphenyl)ethynyl]phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 164970350
(4-chloro-2,5-difluorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 82772196
(3-aminopyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
CID 62069041
(3-bromopyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
CID 80677225
(5-amino-2-fluorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211692
(2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916558
(4-bromo-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918089

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone (CID 68625081) is (2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone is O=C(c1ccc(F)cc1F)N1CCC[C@@H](O)C1.
What is the InChIKey of (2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is JLJWXZCKERWIIE-SECBINFHSA-N. The full InChI is InChI=1S/C12H13F2NO2/c13-8-3-4-10(11(14)6-8)12(17)15-5-1-2-9(16)7-15/h3-4,6,9,16H,1-2,5,7H2/t9-/m1/s1.
What are the key properties of (2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone?
(2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone has a molecular weight of 241.24 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 68625081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).