5,5-dimethylpiperidine-3-carboxylic acid;hydrochloride

C8H16ClNO2 — CID 139026705

IUPAC5,5-dimethylpiperidine-3-carboxylic acid;hydrochloride
SMILESCC1(C)CNCC(C(=O)O)C1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-8(2)3-6(7(10)11)4-9-5-8;/h6,9H,3-5H2,1-2H3,(H,10,11);1H
InChIKeyRNDKOEYBBHNPNC-UHFFFAOYSA-N
MW193.67 g/mol
LogP1.13
Rot. Bonds1

About 5,5-dimethylpiperidine-3-carboxylic acid;hydrochloride

5,5-dimethylpiperidine-3-carboxylic acid;hydrochloride (PubChem CID 139026705) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 5,5-dimethylpiperidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5,5-dimethylpiperidine-3-carboxylic acid;hydrochloride
PubChem CID139026705
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name5,5-dimethylpiperidine-3-carboxylic acid;hydrochloride
SMILESCC1(C)CNCC(C(=O)O)C1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-8(2)3-6(7(10)11)4-9-5-8;/h6,9H,3-5H2,1-2H3,(H,10,11);1H
InChIKeyRNDKOEYBBHNPNC-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 5,5-dimethylpiperidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 5,5-dimethylpiperidine-3-carboxylic acid;hydrochloride (CID 139026705) is 5,5-dimethylpiperidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 5,5-dimethylpiperidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 5,5-dimethylpiperidine-3-carboxylic acid;hydrochloride is CC1(C)CNCC(C(=O)O)C1.Cl.
What is the InChIKey of 5,5-dimethylpiperidine-3-carboxylic acid;hydrochloride?
The InChIKey is RNDKOEYBBHNPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-8(2)3-6(7(10)11)4-9-5-8;/h6,9H,3-5H2,1-2H3,(H,10,11);1H.
What are the key properties of 5,5-dimethylpiperidine-3-carboxylic acid;hydrochloride?
5,5-dimethylpiperidine-3-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 5,5-dimethylpiperidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 139026705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).