2,5-dimethylpiperidine-4-carboxylic acid;hydrochloride

C8H16ClNO2 — CID 136576236

IUPAC2,5-dimethylpiperidine-4-carboxylic acid;hydrochloride
SMILESCC1CC(C(=O)O)C(C)CN1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-5-4-9-6(2)3-7(5)8(10)11;/h5-7,9H,3-4H2,1-2H3,(H,10,11);1H
InChIKeyAPGNLOKGLPFUDO-UHFFFAOYSA-N
MW193.67 g/mol
LogP1.13
Rot. Bonds1

About 2,5-dimethylpiperidine-4-carboxylic acid;hydrochloride

2,5-dimethylpiperidine-4-carboxylic acid;hydrochloride (PubChem CID 136576236) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 2,5-dimethylpiperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2,5-dimethylpiperidine-4-carboxylic acid;hydrochloride
PubChem CID136576236
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name2,5-dimethylpiperidine-4-carboxylic acid;hydrochloride
SMILESCC1CC(C(=O)O)C(C)CN1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-5-4-9-6(2)3-7(5)8(10)11;/h5-7,9H,3-4H2,1-2H3,(H,10,11);1H
InChIKeyAPGNLOKGLPFUDO-UHFFFAOYSA-N
XLogP1.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpiperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 2,5-dimethylpiperidine-4-carboxylic acid;hydrochloride (CID 136576236) is 2,5-dimethylpiperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 2,5-dimethylpiperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 2,5-dimethylpiperidine-4-carboxylic acid;hydrochloride is CC1CC(C(=O)O)C(C)CN1.Cl.
What is the InChIKey of 2,5-dimethylpiperidine-4-carboxylic acid;hydrochloride?
The InChIKey is APGNLOKGLPFUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-5-4-9-6(2)3-7(5)8(10)11;/h5-7,9H,3-4H2,1-2H3,(H,10,11);1H.
What are the key properties of 2,5-dimethylpiperidine-4-carboxylic acid;hydrochloride?
2,5-dimethylpiperidine-4-carboxylic acid;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylpiperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 136576236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).