2-(difluoromethyl)-4-(piperidin-2-ylmethyl)phenol

C13H17F2NO — CID 117355163

IUPAC2-(difluoromethyl)-4-(piperidin-2-ylmethyl)phenol
SMILESOc1ccc(CC2CCCCN2)cc1C(F)F
InChIInChI=1S/C13H17F2NO/c14-13(15)11-8-9(4-5-12(11)17)7-10-3-1-2-6-16-10/h4-5,8,10,13,16-17H,1-3,6-7H2
InChIKeyOXEZLRJSJKEBAH-UHFFFAOYSA-N
MW241.28 g/mol
LogP3.01
Rot. Bonds3

About 2-(difluoromethyl)-4-(piperidin-2-ylmethyl)phenol

2-(difluoromethyl)-4-(piperidin-2-ylmethyl)phenol (PubChem CID 117355163) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-(piperidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name2-(difluoromethyl)-4-(piperidin-2-ylmethyl)phenol
PubChem CID117355163
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name2-(difluoromethyl)-4-(piperidin-2-ylmethyl)phenol
SMILESOc1ccc(CC2CCCCN2)cc1C(F)F
InChIInChI=1S/C13H17F2NO/c14-13(15)11-8-9(4-5-12(11)17)7-10-3-1-2-6-16-10/h4-5,8,10,13,16-17H,1-3,6-7H2
InChIKeyOXEZLRJSJKEBAH-UHFFFAOYSA-N
XLogP3.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(difluoromethyl)-4-(piperidin-2-ylmethyl)phenol with MolForge

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

Launch Full Analysis

Related Compounds

2-fluoro-4-(pyrrolidin-2-ylmethyl)phenol
CID 82606233
2-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]pyrrolidine
CID 117355063
2-(difluoromethyl)-6-(piperidin-2-ylmethyl)-4-propan-2-ylphenol
CID 117455589
2-[[3-bromo-4-(1-fluoroethyl)phenyl]methyl]pyrrolidine
CID 117461346
1-[4-(piperidin-2-ylmethyl)phenyl]propan-2-ol
CID 117339227
2-(difluoromethyl)-6-(pyrrolidin-2-ylmethyl)phenol
CID 84691153
2-[[5-(difluoromethyl)-2-methylphenyl]methyl]piperidine
CID 117351246
2-(pyrrolidin-2-ylmethyl)benzene-1,4-diol
CID 117283565
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine
CID 117360963
1-[3-(piperidin-2-ylmethyl)phenyl]ethanol
CID 117118064
2-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]piperidine
CID 82499355
2,3-difluoro-4-(piperidin-2-ylmethyl)phenol
CID 117326852

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-(piperidin-2-ylmethyl)phenol?
The IUPAC name of 2-(difluoromethyl)-4-(piperidin-2-ylmethyl)phenol (CID 117355163) is 2-(difluoromethyl)-4-(piperidin-2-ylmethyl)phenol.
What is the SMILES notation for 2-(difluoromethyl)-4-(piperidin-2-ylmethyl)phenol?
The canonical SMILES for 2-(difluoromethyl)-4-(piperidin-2-ylmethyl)phenol is Oc1ccc(CC2CCCCN2)cc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-4-(piperidin-2-ylmethyl)phenol?
The InChIKey is OXEZLRJSJKEBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c14-13(15)11-8-9(4-5-12(11)17)7-10-3-1-2-6-16-10/h4-5,8,10,13,16-17H,1-3,6-7H2.
What are the key properties of 2-(difluoromethyl)-4-(piperidin-2-ylmethyl)phenol?
2-(difluoromethyl)-4-(piperidin-2-ylmethyl)phenol has a molecular weight of 241.28 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-(piperidin-2-ylmethyl)phenol is sourced from PubChem (CID 117355163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).