(4-fluoro-2-methylphenyl)-piperidin-3-ylmethanol

C13H18FNO — CID 80560290

IUPAC(4-fluoro-2-methylphenyl)-piperidin-3-ylmethanol
SMILESCc1cc(F)ccc1C(O)C1CCCNC1
InChIInChI=1S/C13H18FNO/c1-9-7-11(14)4-5-12(9)13(16)10-3-2-6-15-8-10/h4-5,7,10,13,15-16H,2-3,6,8H2,1H3
InChIKeyWSGGALRAEZAKIB-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.17
Rot. Bonds2

About (4-fluoro-2-methylphenyl)-piperidin-3-ylmethanol

(4-fluoro-2-methylphenyl)-piperidin-3-ylmethanol (PubChem CID 80560290) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-piperidin-3-ylmethanol.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)-piperidin-3-ylmethanol
PubChem CID80560290
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(4-fluoro-2-methylphenyl)-piperidin-3-ylmethanol
SMILESCc1cc(F)ccc1C(O)C1CCCNC1
InChIInChI=1S/C13H18FNO/c1-9-7-11(14)4-5-12(9)13(16)10-3-2-6-15-8-10/h4-5,7,10,13,15-16H,2-3,6,8H2,1H3
InChIKeyWSGGALRAEZAKIB-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4-fluoro-2-methylphenyl)-piperidin-3-ylmethanol 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-fluoro-2-methylphenyl)-piperidin-3-ylmethanol?
The IUPAC name of (4-fluoro-2-methylphenyl)-piperidin-3-ylmethanol (CID 80560290) is (4-fluoro-2-methylphenyl)-piperidin-3-ylmethanol.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-piperidin-3-ylmethanol?
The canonical SMILES for (4-fluoro-2-methylphenyl)-piperidin-3-ylmethanol is Cc1cc(F)ccc1C(O)C1CCCNC1.
What is the InChIKey of (4-fluoro-2-methylphenyl)-piperidin-3-ylmethanol?
The InChIKey is WSGGALRAEZAKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-7-11(14)4-5-12(9)13(16)10-3-2-6-15-8-10/h4-5,7,10,13,15-16H,2-3,6,8H2,1H3.
What are the key properties of (4-fluoro-2-methylphenyl)-piperidin-3-ylmethanol?
(4-fluoro-2-methylphenyl)-piperidin-3-ylmethanol has a molecular weight of 223.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)-piperidin-3-ylmethanol is sourced from PubChem (CID 80560290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).