3-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol

C13H18FNO — CID 84789130

IUPAC3-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol
SMILESCc1ccc(O)c(CC2CCNCC2)c1F
InChIInChI=1S/C13H18FNO/c1-9-2-3-12(16)11(13(9)14)8-10-4-6-15-7-5-10/h2-3,10,15-16H,4-8H2,1H3
InChIKeyTXOVEXDXKJKVJF-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.38
Rot. Bonds2

About 3-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol

3-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol (PubChem CID 84789130) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol.

Molecular Properties

Compound Name3-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol
PubChem CID84789130
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol
SMILESCc1ccc(O)c(CC2CCNCC2)c1F
InChIInChI=1S/C13H18FNO/c1-9-2-3-12(16)11(13(9)14)8-10-4-6-15-7-5-10/h2-3,10,15-16H,4-8H2,1H3
InChIKeyTXOVEXDXKJKVJF-UHFFFAOYSA-N
XLogP2.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-4-methyl-2-(piperidin-4-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

4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine
CID 82823243
4-bromo-3-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84812931
4-[(6-bromo-2-fluoro-3-methylphenyl)methyl]piperidine
CID 84813696
3,6-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786990
3-chloro-6-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84800086
2,4,5-trifluoro-3-(piperidin-4-ylmethyl)phenol
CID 117364513
4-[(2,6-dimethylphenyl)methyl]piperidine
CID 103840873
4-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-5-ol
CID 84794766
4-bromo-3-fluoro-2-(pyrrolidin-3-ylmethyl)phenol
CID 84810264
4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786987
4-[(3-bromo-2,6-difluoro-5-methylphenyl)methyl]piperidine
CID 117489284
4-fluoro-3-methyl-5-(piperidin-4-ylmethyl)phenol
CID 117320386

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol?
The IUPAC name of 3-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol (CID 84789130) is 3-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol.
What is the SMILES notation for 3-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol?
The canonical SMILES for 3-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol is Cc1ccc(O)c(CC2CCNCC2)c1F.
What is the InChIKey of 3-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol?
The InChIKey is TXOVEXDXKJKVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-2-3-12(16)11(13(9)14)8-10-4-6-15-7-5-10/h2-3,10,15-16H,4-8H2,1H3.
What are the key properties of 3-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol?
3-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol has a molecular weight of 223.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol is sourced from PubChem (CID 84789130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).