1-methylpiperidine-2,6-dicarboxylic acid;hydrochloride

C8H14ClNO4 — CID 141185672

IUPAC1-methylpiperidine-2,6-dicarboxylic acid;hydrochloride
SMILESCN1C(C(=O)O)CCCC1C(=O)O.Cl
InChIInChI=1S/C8H13NO4.ClH/c1-9-5(7(10)11)3-2-4-6(9)8(12)13;/h5-6H,2-4H2,1H3,(H,10,11)(H,12,13);1H
InChIKeyQUJOLUYHNWEBFD-UHFFFAOYSA-N
MW223.66 g/mol
LogP0.43
Rot. Bonds2

About 1-methylpiperidine-2,6-dicarboxylic acid;hydrochloride

1-methylpiperidine-2,6-dicarboxylic acid;hydrochloride (PubChem CID 141185672) has the molecular formula C8H14ClNO4 and a molecular weight of 223.66 g/mol. Its IUPAC name is 1-methylpiperidine-2,6-dicarboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-methylpiperidine-2,6-dicarboxylic acid;hydrochloride
PubChem CID141185672
Molecular FormulaC8H14ClNO4
Molecular Weight223.66 g/mol
Exact Mass223.06
IUPAC Name1-methylpiperidine-2,6-dicarboxylic acid;hydrochloride
SMILESCN1C(C(=O)O)CCCC1C(=O)O.Cl
InChIInChI=1S/C8H13NO4.ClH/c1-9-5(7(10)11)3-2-4-6(9)8(12)13;/h5-6H,2-4H2,1H3,(H,10,11)(H,12,13);1H
InChIKeyQUJOLUYHNWEBFD-UHFFFAOYSA-N
XLogP0.43
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,6S)-1-propan-2-ylpiperidine-2,6-dicarboxylic acid
CID 124844959
(2R,5S)-5-acetyl-1-methylpyrrolidine-2-carboxylic acid
CID 58812271
(2R,6R)-1-propan-2-ylpiperidine-2,6-dicarboxylic acid
CID 124844957
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
piperidine-1,2,6-tricarboxylic acid
CID 22987898
1-methylpyrrolidine-2-carboxylic acid;hydrate
CID 2849411
1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid
CID 66471931
1,6-dimethylazepane-2-carboxylic acid;ethane
CID 145183332
(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67785488
hydron;1-methylpiperidine-2-carboxylic acid;chloride
CID 44558462
(2R,5S)-1-methyl-5-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 131554192
(2S)-1-(3-methylbutyl)pyrrolidine-2-carboxylic acid
CID 28819351

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidine-2,6-dicarboxylic acid;hydrochloride?
The IUPAC name of 1-methylpiperidine-2,6-dicarboxylic acid;hydrochloride (CID 141185672) is 1-methylpiperidine-2,6-dicarboxylic acid;hydrochloride.
What is the SMILES notation for 1-methylpiperidine-2,6-dicarboxylic acid;hydrochloride?
The canonical SMILES for 1-methylpiperidine-2,6-dicarboxylic acid;hydrochloride is CN1C(C(=O)O)CCCC1C(=O)O.Cl.
What is the InChIKey of 1-methylpiperidine-2,6-dicarboxylic acid;hydrochloride?
The InChIKey is QUJOLUYHNWEBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4.ClH/c1-9-5(7(10)11)3-2-4-6(9)8(12)13;/h5-6H,2-4H2,1H3,(H,10,11)(H,12,13);1H.
What are the key properties of 1-methylpiperidine-2,6-dicarboxylic acid;hydrochloride?
1-methylpiperidine-2,6-dicarboxylic acid;hydrochloride has a molecular weight of 223.66 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidine-2,6-dicarboxylic acid;hydrochloride is sourced from PubChem (CID 141185672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).