[2-(2,6-difluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone

C15H17F2NO2 — CID 111421550

IUPAC[2-(2,6-difluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(C1CC1c1c(F)cccc1F)N1CCCC(O)C1
InChIInChI=1S/C15H17F2NO2/c16-12-4-1-5-13(17)14(12)10-7-11(10)15(20)18-6-2-3-9(19)8-18/h1,4-5,9-11,19H,2-3,6-8H2
InChIKeyYPMVWOVTQUTMLH-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.05
Rot. Bonds2

About [2-(2,6-difluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone

[2-(2,6-difluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 111421550) has the molecular formula C15H17F2NO2 and a molecular weight of 281.30 g/mol. Its IUPAC name is [2-(2,6-difluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2,6-difluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone
PubChem CID111421550
Molecular FormulaC15H17F2NO2
Molecular Weight281.30 g/mol
Exact Mass281.12
IUPAC Name[2-(2,6-difluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(C1CC1c1c(F)cccc1F)N1CCCC(O)C1
InChIInChI=1S/C15H17F2NO2/c16-12-4-1-5-13(17)14(12)10-7-11(10)15(20)18-6-2-3-9(19)8-18/h1,4-5,9-11,19H,2-3,6-8H2
InChIKeyYPMVWOVTQUTMLH-UHFFFAOYSA-N
XLogP2.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-hydroxypiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 78971302
[2-(2,6-difluorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119539938
[3-(1-aminoethyl)piperidin-1-yl]-[2-(2-chloro-6-fluorophenyl)cyclopropyl]methanone
CID 119596306
(2R)-1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119370659
2-[1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid
CID 119178221
[2-(2-fluoro-6-phenylphenyl)cyclopropyl]-[3-(methylsulfanylamino)piperidin-1-yl]methanone
CID 169239911
1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 119175952
[2-(2-chloro-6-fluorophenyl)cyclopropyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638871
[2-(2,3-difluorophenyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone
CID 111459530
[2-(2,6-difluorophenyl)cyclopropyl]-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methanone
CID 86961998
(3-hydroxypiperidin-1-yl)-(2-methylcyclopropyl)methanone
CID 43415684
(3S)-1-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695295

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-difluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [2-(2,6-difluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone (CID 111421550) is [2-(2,6-difluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [2-(2,6-difluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [2-(2,6-difluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone is O=C(C1CC1c1c(F)cccc1F)N1CCCC(O)C1.
What is the InChIKey of [2-(2,6-difluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is YPMVWOVTQUTMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO2/c16-12-4-1-5-13(17)14(12)10-7-11(10)15(20)18-6-2-3-9(19)8-18/h1,4-5,9-11,19H,2-3,6-8H2.
What are the key properties of [2-(2,6-difluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone?
[2-(2,6-difluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 281.30 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 111421550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).