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

C8H16ClNO2 — CID 86775627

IUPAC4,4-dimethylpiperidine-2-carboxylic acid;hydrochloride
SMILESCC1(C)CCNC(C(=O)O)C1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-8(2)3-4-9-6(5-8)7(10)11;/h6,9H,3-5H2,1-2H3,(H,10,11);1H
InChIKeyJYHSYQMPLINOER-UHFFFAOYSA-N
MW193.67 g/mol
LogP1.27
Rot. Bonds1

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

4,4-dimethylpiperidine-2-carboxylic acid;hydrochloride (PubChem CID 86775627) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 4,4-dimethylpiperidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4,4-dimethylpiperidine-2-carboxylic acid;hydrochloride
PubChem CID86775627
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name4,4-dimethylpiperidine-2-carboxylic acid;hydrochloride
SMILESCC1(C)CCNC(C(=O)O)C1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-8(2)3-4-9-6(5-8)7(10)11;/h6,9H,3-5H2,1-2H3,(H,10,11);1H
InChIKeyJYHSYQMPLINOER-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpiperidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 4,4-dimethylpiperidine-2-carboxylic acid;hydrochloride (CID 86775627) is 4,4-dimethylpiperidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4,4-dimethylpiperidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4,4-dimethylpiperidine-2-carboxylic acid;hydrochloride is CC1(C)CCNC(C(=O)O)C1.Cl.
What is the InChIKey of 4,4-dimethylpiperidine-2-carboxylic acid;hydrochloride?
The InChIKey is JYHSYQMPLINOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-8(2)3-4-9-6(5-8)7(10)11;/h6,9H,3-5H2,1-2H3,(H,10,11);1H.
What are the key properties of 4,4-dimethylpiperidine-2-carboxylic acid;hydrochloride?
4,4-dimethylpiperidine-2-carboxylic acid;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpiperidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 86775627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).