3,3-dimethylpiperidine-2-carboxylic acid;hydrochloride

C8H16ClNO2 — CID 86775685

IUPAC3,3-dimethylpiperidine-2-carboxylic acid;hydrochloride
SMILESCC1(C)CCCNC1C(=O)O.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-8(2)4-3-5-9-6(8)7(10)11;/h6,9H,3-5H2,1-2H3,(H,10,11);1H
InChIKeyUGJGDNHGDDUPNS-UHFFFAOYSA-N
MW193.67 g/mol
LogP1.27
Rot. Bonds1

About 3,3-dimethylpiperidine-2-carboxylic acid;hydrochloride

3,3-dimethylpiperidine-2-carboxylic acid;hydrochloride (PubChem CID 86775685) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 3,3-dimethylpiperidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3,3-dimethylpiperidine-2-carboxylic acid;hydrochloride
PubChem CID86775685
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name3,3-dimethylpiperidine-2-carboxylic acid;hydrochloride
SMILESCC1(C)CCCNC1C(=O)O.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-8(2)4-3-5-9-6(8)7(10)11;/h6,9H,3-5H2,1-2H3,(H,10,11);1H
InChIKeyUGJGDNHGDDUPNS-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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Related Compounds

3-(3-Boronopropyl)piperidine-2-carboxylic acid
CID 147778635
dl-Pipecolic acid hcl
CID 85923
(2R,4R)-4-methylpiperidine-2-carboxylic acid
CID 5288786
(2S,3R)-3-(2-boronoethyl)piperidine-2-carboxylic acid
CID 164619826
4-(2-Boronoethyl)piperidine-2-carboxylic acid
CID 147497008
2-Methyl-2-piperidinecarboxylic acid
CID 566731
2-Methylpiperidine-2-carboxylic acid hydrochloride
CID 56773798
2-Amino-3-(1-methylpiperidin-4-yl)propanoic acid
CID 59751677
rac-(2R,4R)-4-methylpiperidine-2-carboxylic acid hydrochloride
CID 67078918
Methyl 5,5-dimethylpiperidine-2-carboxylate hydrochloride
CID 67791332
5-Methylpiperidine-2-carboxylic acid hydrochloride
CID 69619338
Methyl 3-methylpiperidine-2-carboxylate hydrochloride
CID 89739579

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylpiperidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 3,3-dimethylpiperidine-2-carboxylic acid;hydrochloride (CID 86775685) is 3,3-dimethylpiperidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 3,3-dimethylpiperidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 3,3-dimethylpiperidine-2-carboxylic acid;hydrochloride is CC1(C)CCCNC1C(=O)O.Cl.
What is the InChIKey of 3,3-dimethylpiperidine-2-carboxylic acid;hydrochloride?
The InChIKey is UGJGDNHGDDUPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-8(2)4-3-5-9-6(8)7(10)11;/h6,9H,3-5H2,1-2H3,(H,10,11);1H.
What are the key properties of 3,3-dimethylpiperidine-2-carboxylic acid;hydrochloride?
3,3-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 3,3-dimethylpiperidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 86775685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).