1-(methylamino)piperidine-4-carboxylic acid;hydrochloride

C7H15ClN2O2 — CID 141414728

IUPAC1-(methylamino)piperidine-4-carboxylic acid;hydrochloride
SMILESCNN1CCC(C(=O)O)CC1.Cl
InChIInChI=1S/C7H14N2O2.ClH/c1-8-9-4-2-6(3-5-9)7(10)11;/h6,8H,2-5H2,1H3,(H,10,11);1H
InChIKeyMFSYLIFJRWISEP-UHFFFAOYSA-N
MW194.66 g/mol
LogP0.34
Rot. Bonds2

About 1-(methylamino)piperidine-4-carboxylic acid;hydrochloride

1-(methylamino)piperidine-4-carboxylic acid;hydrochloride (PubChem CID 141414728) has the molecular formula C7H15ClN2O2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 1-(methylamino)piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(methylamino)piperidine-4-carboxylic acid;hydrochloride
PubChem CID141414728
Molecular FormulaC7H15ClN2O2
Molecular Weight194.66 g/mol
Exact Mass194.08
IUPAC Name1-(methylamino)piperidine-4-carboxylic acid;hydrochloride
SMILESCNN1CCC(C(=O)O)CC1.Cl
InChIInChI=1S/C7H14N2O2.ClH/c1-8-9-4-2-6(3-5-9)7(10)11;/h6,8H,2-5H2,1H3,(H,10,11);1H
InChIKeyMFSYLIFJRWISEP-UHFFFAOYSA-N
XLogP0.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

acetyl 1-(methylamino)piperidine-4-carboxylate
CID 174692638
1-methylpiperidine-4-carboxylic acid;hydrate
CID 69434793
1-acetylpiperidine-4-carboxylic acid;ethane
CID 144882491
1-methylpiperidine-4-carbonyl chloride;1-methylpiperidine-4-carboxylic acid;dihydrochloride
CID 159086943
piperidine-1,4-dicarboxylic acid
CID 18542445
4-[4-(methylcarbamoyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 63784854
1-prop-1-enylpiperidine-4-carboxylic acid
CID 59113362
1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid
CID 103869483
1-[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103237505
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185
cyclopropanecarboxylic acid;hydroiodide
CID 67700319
cyclohexanecarboxylic acid;trihydrochloride
CID 67185988

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-(methylamino)piperidine-4-carboxylic acid;hydrochloride (CID 141414728) is 1-(methylamino)piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(methylamino)piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(methylamino)piperidine-4-carboxylic acid;hydrochloride is CNN1CCC(C(=O)O)CC1.Cl.
What is the InChIKey of 1-(methylamino)piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is MFSYLIFJRWISEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.ClH/c1-8-9-4-2-6(3-5-9)7(10)11;/h6,8H,2-5H2,1H3,(H,10,11);1H.
What are the key properties of 1-(methylamino)piperidine-4-carboxylic acid;hydrochloride?
1-(methylamino)piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 194.66 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 141414728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).