1-Methylpiperidine-3-carboxylic acid hydrochloride

C7H14ClNO2CAS 19999-64-5179.64 g/mol

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NOOHHCl
Carboxylic acidTertiary amine

Properties

Molecular formula
C7H14ClNO2
Molar mass
179.64 g/mol
Exact mass
179.0713 Da
logP
0.83Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
19999-64-5
SMILES
CN1CCCC(C1)C(=O)O.Cl
InChIKey
YUNAYYMTACPBTD-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO2.ClH/c1-8-4-2-3-6(5-8)7(9)10;/h6H,2-5H2,1H3,(H,9,10);1H

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Work with 1-Methylpiperidine-3-carboxylic acid hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-Methylpiperidine-3-carboxylic acid5657-70-5Free base

Similar compounds

1-Methylisonipecotic acid hydrochloride71985-80-365 % similar 1-Methyl-piperidine-4-carboxylic acid68947-43-356 % similar 1-Methylnipecotinic acid methyl ester1690-72-851 % similar Ethyl 1-methyl-3-piperidinecarboxylate5166-67-649 % similar 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate163438-09-348 % similar 1-((tert-Butoxy)carbonyl)piperidine-3-carboxylic acid71381-75-448 % similar 1-Boc-3-piperidinecarboxylic acid84358-12-348 % similar L-1-Boc-nipecotic acid88495-54-948 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

H-D-Pro-oet hcl131477-20-8 (S)-3-Methyl piperidine carboxylate hydrochloride164323-84-6 2-Methyl-L-proline methyl ester hydrochloride220060-08-2 1-Methylpiperidine-2-carboxylic acid hydrochloride25271-35-6 trans-4-Amino-cyclohexane carboxylic acid hydrochloride27960-59-4 Stachydrine chloride4136-37-2 1,4-Dioxa-8-azaspiro(4.5)decane hydrochloride42899-11-6 Methyl 1-amino-1-cyclopentanecarboxylate hydrochloride60421-23-0

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