1,2-dimethylpiperidine-4-carboxylic acid;hydrochloride

C8H16ClNO2 — CID 155895625

IUPAC1,2-dimethylpiperidine-4-carboxylic acid;hydrochloride
SMILESCC1CC(C(=O)O)CCN1C.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-6-5-7(8(10)11)3-4-9(6)2;/h6-7H,3-5H2,1-2H3,(H,10,11);1H
InChIKeyOQHFZECFUQVVFE-UHFFFAOYSA-N
MW193.67 g/mol
LogP1.22
Rot. Bonds1

About 1,2-dimethylpiperidine-4-carboxylic acid;hydrochloride

1,2-dimethylpiperidine-4-carboxylic acid;hydrochloride (PubChem CID 155895625) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 1,2-dimethylpiperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1,2-dimethylpiperidine-4-carboxylic acid;hydrochloride
PubChem CID155895625
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name1,2-dimethylpiperidine-4-carboxylic acid;hydrochloride
SMILESCC1CC(C(=O)O)CCN1C.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-6-5-7(8(10)11)3-4-9(6)2;/h6-7H,3-5H2,1-2H3,(H,10,11);1H
InChIKeyOQHFZECFUQVVFE-UHFFFAOYSA-N
XLogP1.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-Methylpiperidin-1-yl)pentanoic acid--hydrogen chloride (1/1)
CID 113719
4-Piperidinecarboxylic acid, 1-methyl-, hydrochloride (1:1)
CID 2760043
1-Isopropylpiperidine-4-Carboxylic Acid
CID 6484187
1-Propylpiperidine-4-carboxylic acid hydrochloride
CID 43810467
1-Ethylpiperidine-4-carboxylic acid hydrochloride
CID 45075030
1-(Propan-2-yl)piperidine-4-carboxylic acid hydrochloride
CID 45075031
1-Isopropylpiperidine-3-carboxylic acid hydrochloride
CID 45075039
1-Cyclopropylpiperidine-4-carboxylic acid hydrochloride
CID 53302045
1-Cyclobutylpiperidine-4-carboxylic acid
CID 53440464
3-(1-Methylpiperidin-4-yl)propanoic acid hydrochloride
CID 67402292
2-[1-(Propan-2-yl)piperidin-4-yl]acetic acid hydrochloride
CID 68451421
rac-(2R,4R)-1-((tert-butoxy)carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 98010222

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpiperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 1,2-dimethylpiperidine-4-carboxylic acid;hydrochloride (CID 155895625) is 1,2-dimethylpiperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1,2-dimethylpiperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1,2-dimethylpiperidine-4-carboxylic acid;hydrochloride is CC1CC(C(=O)O)CCN1C.Cl.
What is the InChIKey of 1,2-dimethylpiperidine-4-carboxylic acid;hydrochloride?
The InChIKey is OQHFZECFUQVVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-6-5-7(8(10)11)3-4-9(6)2;/h6-7H,3-5H2,1-2H3,(H,10,11);1H.
What are the key properties of 1,2-dimethylpiperidine-4-carboxylic acid;hydrochloride?
1,2-dimethylpiperidine-4-carboxylic acid;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpiperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 155895625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).