4-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-4-ol

C13H17F2NO — CID 114930983

IUPAC4-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(Cc2c(F)cccc2F)CC1
InChIInChI=1S/C13H17F2NO/c1-16-7-5-13(17,6-8-16)9-10-11(14)3-2-4-12(10)15/h2-4,17H,5-9H2,1H3
InChIKeyWVKUFIOUCXKXDD-UHFFFAOYSA-N
MW241.28 g/mol
LogP1.96
Rot. Bonds2

About 4-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-4-ol

4-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-4-ol (PubChem CID 114930983) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-4-ol
PubChem CID114930983
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name4-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(Cc2c(F)cccc2F)CC1
InChIInChI=1S/C13H17F2NO/c1-16-7-5-13(17,6-8-16)9-10-11(14)3-2-4-12(10)15/h2-4,17H,5-9H2,1H3
InChIKeyWVKUFIOUCXKXDD-UHFFFAOYSA-N
XLogP1.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-4-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 4-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-4-ol?
The IUPAC name of 4-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-4-ol (CID 114930983) is 4-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-4-ol?
The canonical SMILES for 4-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-4-ol is CN1CCC(O)(Cc2c(F)cccc2F)CC1.
What is the InChIKey of 4-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-4-ol?
The InChIKey is WVKUFIOUCXKXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-16-7-5-13(17,6-8-16)9-10-11(14)3-2-4-12(10)15/h2-4,17H,5-9H2,1H3.
What are the key properties of 4-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-4-ol?
4-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-4-ol has a molecular weight of 241.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 114930983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).