1-(4,4-difluoropiperidin-1-yl)-4-hydroxybutan-1-one

C9H15F2NO2 — CID 116991104

IUPAC1-(4,4-difluoropiperidin-1-yl)-4-hydroxybutan-1-one
SMILESO=C(CCCO)N1CCC(F)(F)CC1
InChIInChI=1S/C9H15F2NO2/c10-9(11)3-5-12(6-4-9)8(14)2-1-7-13/h13H,1-7H2
InChIKeyMAXAGCGGCXMZIC-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.02
Rot. Bonds3

About 1-(4,4-difluoropiperidin-1-yl)-4-hydroxybutan-1-one

1-(4,4-difluoropiperidin-1-yl)-4-hydroxybutan-1-one (PubChem CID 116991104) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidin-1-yl)-4-hydroxybutan-1-one.

Molecular Properties

Compound Name1-(4,4-difluoropiperidin-1-yl)-4-hydroxybutan-1-one
PubChem CID116991104
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name1-(4,4-difluoropiperidin-1-yl)-4-hydroxybutan-1-one
SMILESO=C(CCCO)N1CCC(F)(F)CC1
InChIInChI=1S/C9H15F2NO2/c10-9(11)3-5-12(6-4-9)8(14)2-1-7-13/h13H,1-7H2
InChIKeyMAXAGCGGCXMZIC-UHFFFAOYSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4,4-difluoropiperidin-1-yl)-4-hydroxybutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-4-hydroxybutan-1-one?
The IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-4-hydroxybutan-1-one (CID 116991104) is 1-(4,4-difluoropiperidin-1-yl)-4-hydroxybutan-1-one.
What is the SMILES notation for 1-(4,4-difluoropiperidin-1-yl)-4-hydroxybutan-1-one?
The canonical SMILES for 1-(4,4-difluoropiperidin-1-yl)-4-hydroxybutan-1-one is O=C(CCCO)N1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluoropiperidin-1-yl)-4-hydroxybutan-1-one?
The InChIKey is MAXAGCGGCXMZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c10-9(11)3-5-12(6-4-9)8(14)2-1-7-13/h13H,1-7H2.
What are the key properties of 1-(4,4-difluoropiperidin-1-yl)-4-hydroxybutan-1-one?
1-(4,4-difluoropiperidin-1-yl)-4-hydroxybutan-1-one has a molecular weight of 207.22 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropiperidin-1-yl)-4-hydroxybutan-1-one is sourced from PubChem (CID 116991104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).