[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]methanol

C15H23NO — CID 3748734

IUPAC[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]methanol
SMILESCc1ccc(CN2CCCC(CO)C2)c(C)c1
InChIInChI=1S/C15H23NO/c1-12-5-6-15(13(2)8-12)10-16-7-3-4-14(9-16)11-17/h5-6,8,14,17H,3-4,7,9-11H2,1-2H3
InChIKeyNLFSFYBJGABOMP-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.51
Rot. Bonds3

About [1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]methanol

[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]methanol (PubChem CID 3748734) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is [1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]methanol
PubChem CID3748734
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]methanol
SMILESCc1ccc(CN2CCCC(CO)C2)c(C)c1
InChIInChI=1S/C15H23NO/c1-12-5-6-15(13(2)8-12)10-16-7-3-4-14(9-16)11-17/h5-6,8,14,17H,3-4,7,9-11H2,1-2H3
InChIKeyNLFSFYBJGABOMP-UHFFFAOYSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]methanol 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 [1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]methanol (CID 3748734) is [1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]methanol is Cc1ccc(CN2CCCC(CO)C2)c(C)c1.
What is the InChIKey of [1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is NLFSFYBJGABOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-5-6-15(13(2)8-12)10-16-7-3-4-14(9-16)11-17/h5-6,8,14,17H,3-4,7,9-11H2,1-2H3.
What are the key properties of [1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]methanol?
[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 233.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 3748734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).