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

C15H17F2NO2 — CID 111459530

IUPAC[2-(2,3-difluorophenyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(C1CC1c1cccc(F)c1F)N1CCC(O)CC1
InChIInChI=1S/C15H17F2NO2/c16-13-3-1-2-10(14(13)17)11-8-12(11)15(20)18-6-4-9(19)5-7-18/h1-3,9,11-12,19H,4-8H2
InChIKeyIYWCVZLFPSISLG-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.05
Rot. Bonds2

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

[2-(2,3-difluorophenyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 111459530) has the molecular formula C15H17F2NO2 and a molecular weight of 281.30 g/mol. Its IUPAC name is [2-(2,3-difluorophenyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2,3-difluorophenyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID111459530
Molecular FormulaC15H17F2NO2
Molecular Weight281.30 g/mol
Exact Mass281.12
IUPAC Name[2-(2,3-difluorophenyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(C1CC1c1cccc(F)c1F)N1CCC(O)CC1
InChIInChI=1S/C15H17F2NO2/c16-13-3-1-2-10(14(13)17)11-8-12(11)15(20)18-6-4-9(19)5-7-18/h1-3,9,11-12,19H,4-8H2
InChIKeyIYWCVZLFPSISLG-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

1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 119354031
1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251379
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(2,3-difluorophenyl)cyclopropyl]methanone
CID 119664731
[2-(2,3-difluorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119542477
(4-hydroxypiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 110883937
6-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175019
[(1R,2S)-2-(2,3-difluorophenyl)cyclopropyl]-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 124590610
1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256820
(2R)-2-[(2S)-1-[(1R,2S)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]azepan-2-yl]cyclohexan-1-one
CID 124777368
[2-(2,6-difluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone
CID 111421550
(3S)-4-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
CID 125133540
(3S)-4-[(1R,2S)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
CID 125133538

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-difluorophenyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [2-(2,3-difluorophenyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone (CID 111459530) is [2-(2,3-difluorophenyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [2-(2,3-difluorophenyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [2-(2,3-difluorophenyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone is O=C(C1CC1c1cccc(F)c1F)N1CCC(O)CC1.
What is the InChIKey of [2-(2,3-difluorophenyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is IYWCVZLFPSISLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO2/c16-13-3-1-2-10(14(13)17)11-8-12(11)15(20)18-6-4-9(19)5-7-18/h1-3,9,11-12,19H,4-8H2.
What are the key properties of [2-(2,3-difluorophenyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone?
[2-(2,3-difluorophenyl)cyclopropyl]-(4-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-(2,3-difluorophenyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 111459530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).