5,5-difluoro-1-methylpiperidin-3-ol

C6H11F2NO — CID 130890639

IUPAC5,5-difluoro-1-methylpiperidin-3-ol
SMILESCN1CC(O)CC(F)(F)C1
InChIInChI=1S/C6H11F2NO/c1-9-3-5(10)2-6(7,8)4-9/h5,10H,2-4H2,1H3
InChIKeyIBLJZQNVLGOWBG-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.32
Rot. Bonds

About 5,5-difluoro-1-methylpiperidin-3-ol

5,5-difluoro-1-methylpiperidin-3-ol (PubChem CID 130890639) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 5,5-difluoro-1-methylpiperidin-3-ol.

Molecular Properties

Compound Name5,5-difluoro-1-methylpiperidin-3-ol
PubChem CID130890639
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name5,5-difluoro-1-methylpiperidin-3-ol
SMILESCN1CC(O)CC(F)(F)C1
InChIInChI=1S/C6H11F2NO/c1-9-3-5(10)2-6(7,8)4-9/h5,10H,2-4H2,1H3
InChIKeyIBLJZQNVLGOWBG-UHFFFAOYSA-N
XLogP0.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,5-difluoro-1-methylpiperidin-3-ol 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 5,5-difluoro-1-methylpiperidin-3-ol?
The IUPAC name of 5,5-difluoro-1-methylpiperidin-3-ol (CID 130890639) is 5,5-difluoro-1-methylpiperidin-3-ol.
What is the SMILES notation for 5,5-difluoro-1-methylpiperidin-3-ol?
The canonical SMILES for 5,5-difluoro-1-methylpiperidin-3-ol is CN1CC(O)CC(F)(F)C1.
What is the InChIKey of 5,5-difluoro-1-methylpiperidin-3-ol?
The InChIKey is IBLJZQNVLGOWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c1-9-3-5(10)2-6(7,8)4-9/h5,10H,2-4H2,1H3.
What are the key properties of 5,5-difluoro-1-methylpiperidin-3-ol?
5,5-difluoro-1-methylpiperidin-3-ol has a molecular weight of 151.16 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-1-methylpiperidin-3-ol is sourced from PubChem (CID 130890639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).