4-methylpiperidine-4-carboxylic acid;hydrochloride

C7H14ClNO2 — CID 51000379

IUPAC4-methylpiperidine-4-carboxylic acid;hydrochloride
SMILESCC1(C(=O)O)CCNCC1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-7(6(9)10)2-4-8-5-3-7;/h8H,2-5H2,1H3,(H,9,10);1H
InChIKeyGGMOJYOORZQAFB-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.88
Rot. Bonds1

About 4-methylpiperidine-4-carboxylic acid;hydrochloride

4-methylpiperidine-4-carboxylic acid;hydrochloride (PubChem CID 51000379) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 4-methylpiperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-methylpiperidine-4-carboxylic acid;hydrochloride
PubChem CID51000379
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name4-methylpiperidine-4-carboxylic acid;hydrochloride
SMILESCC1(C(=O)O)CCNCC1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-7(6(9)10)2-4-8-5-3-7;/h8H,2-5H2,1H3,(H,9,10);1H
InChIKeyGGMOJYOORZQAFB-UHFFFAOYSA-N
XLogP0.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-methylpiperidine-4-carboxylic acid;hydrochloride 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-Piperidinecarboxylic acid
CID 3773
Isonipecotic acid hydrochloride
CID 22298
1,4-Dimethylpiperidine-4-carboxylic acid hydrochloride
CID 45595338
4-Ethylpiperidine-4-carboxylic acid hydrochloride
CID 50944202
4-Ethylpiperidine-4-carboxylic acid
CID 50944203
4-Fluoropiperidine-4-carboxylic acid hydrochloride
CID 53393267
4-Fluoropiperidine-4-carboxylic acid
CID 53393268
Methyl 4-methylpiperidine-4-carboxylate hydrochloride
CID 56773794
Methyl 4-ethylpiperidine-4-carboxylate hydrochloride
CID 56773797
3-Methylpiperidine-4-carboxylic acid hydrochloride
CID 69169077
4-Cyanopiperidine-4-carboxylic acid hydrochloride
CID 137698974
4-(Difluoromethyl)piperidine-4-carboxylic acid hydrochloride
CID 138040731

Frequently Asked Questions

What is the IUPAC name of 4-methylpiperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 4-methylpiperidine-4-carboxylic acid;hydrochloride (CID 51000379) is 4-methylpiperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-methylpiperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 4-methylpiperidine-4-carboxylic acid;hydrochloride is CC1(C(=O)O)CCNCC1.Cl.
What is the InChIKey of 4-methylpiperidine-4-carboxylic acid;hydrochloride?
The InChIKey is GGMOJYOORZQAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-7(6(9)10)2-4-8-5-3-7;/h8H,2-5H2,1H3,(H,9,10);1H.
What are the key properties of 4-methylpiperidine-4-carboxylic acid;hydrochloride?
4-methylpiperidine-4-carboxylic acid;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpiperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 51000379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).