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

C12H13F2NO2 — CID 43390648

IUPAC(2,4-difluorophenyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(F)cc1F)N1CCCC(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
InChIKeyJLJWXZCKERWIIE-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.56
Rot. Bonds1

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

(2,4-difluorophenyl)-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 43390648) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(3-hydroxypiperidin-1-yl)methanone
PubChem CID43390648
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name(2,4-difluorophenyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(F)cc1F)N1CCCC(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
InChIKeyJLJWXZCKERWIIE-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (2,4-difluorophenyl)-(3-hydroxypiperidin-1-yl)methanone (CID 43390648) is (2,4-difluorophenyl)-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (2,4-difluorophenyl)-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (2,4-difluorophenyl)-(3-hydroxypiperidin-1-yl)methanone is O=C(c1ccc(F)cc1F)N1CCCC(O)C1.
What is the InChIKey of (2,4-difluorophenyl)-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is JLJWXZCKERWIIE-UHFFFAOYSA-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.
What are the key properties of (2,4-difluorophenyl)-(3-hydroxypiperidin-1-yl)methanone?
(2,4-difluorophenyl)-(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)-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 43390648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).