1-[(3-hydroxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid

C14H19NO3 — CID 106745067

IUPAC1-[(3-hydroxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1Cc1cccc(O)c1
InChIInChI=1S/C14H19NO3/c1-10-7-12(14(17)18)5-6-15(10)9-11-3-2-4-13(16)8-11/h2-4,8,10,12,16H,5-7,9H2,1H3,(H,17,18)
InChIKeyMVNMTYHPKBZFIS-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.08
Rot. Bonds3

About 1-[(3-hydroxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid

1-[(3-hydroxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 106745067) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[(3-hydroxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3-hydroxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID106745067
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-[(3-hydroxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1Cc1cccc(O)c1
InChIInChI=1S/C14H19NO3/c1-10-7-12(14(17)18)5-6-15(10)9-11-3-2-4-13(16)8-11/h2-4,8,10,12,16H,5-7,9H2,1H3,(H,17,18)
InChIKeyMVNMTYHPKBZFIS-UHFFFAOYSA-N
XLogP2.08
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3-hydroxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid 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

1-[(3-ethoxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745667
1-[(3,4-difluorophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106744824
1-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745111
1-[(3-hydroxyphenyl)methyl]piperidine-2-carboxylic acid
CID 65054111
1-[(4-carbamoylphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745166
2-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 106745213
1-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745496
1-[(4-cyanophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106744930
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methylpiperidine-4-carboxylic acid
CID 106745447
1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone
CID 22248253
1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 24904650
1-[(2-chloro-4-methylphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106865365

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(3-hydroxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid (CID 106745067) is 1-[(3-hydroxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3-hydroxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3-hydroxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1Cc1cccc(O)c1.
What is the InChIKey of 1-[(3-hydroxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is MVNMTYHPKBZFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-7-12(14(17)18)5-6-15(10)9-11-3-2-4-13(16)8-11/h2-4,8,10,12,16H,5-7,9H2,1H3,(H,17,18).
What are the key properties of 1-[(3-hydroxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid?
1-[(3-hydroxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106745067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).