1-(2-hydroxyethyl)-4-methylpiperidine-4-carboxylic acid

C9H17NO3 — CID 63124484

IUPAC1-(2-hydroxyethyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(CCO)CC1
InChIInChI=1S/C9H17NO3/c1-9(8(12)13)2-4-10(5-3-9)6-7-11/h11H,2-7H2,1H3,(H,12,13)
InChIKeyVIXSXJGGVJJWMS-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.17
Rot. Bonds3

About 1-(2-hydroxyethyl)-4-methylpiperidine-4-carboxylic acid

1-(2-hydroxyethyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 63124484) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID63124484
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name1-(2-hydroxyethyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(CCO)CC1
InChIInChI=1S/C9H17NO3/c1-9(8(12)13)2-4-10(5-3-9)6-7-11/h11H,2-7H2,1H3,(H,12,13)
InChIKeyVIXSXJGGVJJWMS-UHFFFAOYSA-N
XLogP0.17
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-hydroxyethyl)-4-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

4-methyl-1-propylpiperidine-4-carboxylic acid
CID 23389278
1-butyl-4-methylpiperidine-4-carboxylic acid
CID 63124911
4-methyl-1-(3-methylbutyl)piperidine-4-carboxylic acid
CID 55168038
1-heptyl-4-methylpiperidine-4-carboxylic acid
CID 55176415
1-(4-methoxybutyl)-4-methylpiperidine-4-carboxylic acid
CID 104648450
1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-methylpiperidine-4-carboxylic acid
CID 55178150
1-(cyclopropylmethyl)-4-methylpiperidine-4-carboxylic acid
CID 63124521
4-methyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-4-carboxylic acid
CID 55176993
4-methyl-1-(2-phenylsulfanylethyl)piperidine-4-carboxylic acid
CID 79228199
1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708729
3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid
CID 64566531
1-[2-(diethylamino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid
CID 63125037

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-hydroxyethyl)-4-methylpiperidine-4-carboxylic acid (CID 63124484) is 1-(2-hydroxyethyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxyethyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-hydroxyethyl)-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(CCO)CC1.
What is the InChIKey of 1-(2-hydroxyethyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is VIXSXJGGVJJWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(8(12)13)2-4-10(5-3-9)6-7-11/h11H,2-7H2,1H3,(H,12,13).
What are the key properties of 1-(2-hydroxyethyl)-4-methylpiperidine-4-carboxylic acid?
1-(2-hydroxyethyl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 187.24 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63124484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).