Methyl isonipecotate hydrochloride

C7H14ClNO2CAS 7462-86-4179.64 g/mol

Open in Covalent MOL file
OONHHCl
EsterSecondary amine

Properties

Molecular formula
C7H14ClNO2
Molar mass
179.64 g/mol
Exact mass
179.0713 Da
Melting point
160–161 °C
logP
0.58Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 3
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
7462-86-4
SMILES
COC(=O)C1CCNCC1.Cl
InChIKey
XAVNWNCTXQDFLF-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO2.ClH/c1-10-7(9)6-2-4-8-5-3-6;/h6,8H,2-5H2,1H3;1H

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Names and synonyms

4 names
  • 4-Piperidinecarboxylic acid, methyl ester, hydrochloride (1:1)
  • 4-Piperidinecarboxylic acid, methyl ester, hydrochloride
  • Methyl piperidine-4-carboxylate hydrochloride
  • Piperidin-4-carboxylic acid methyl ester hydrochloride

Work with Methyl isonipecotate 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.

Methyl isonipecotate2971-79-1Free base

Similar compounds

Methyl 3-pyrrolidinecarboxylate hcl198959-37-480 % similar (R)-Methyl pyrrolidine-3-carboxylate hydrochloride874964-22-480 % similar Methyl 3-pyrrolidinecarboxylate98548-90-470 % similar Methyl azetidine-3-carboxylate hydrochloride100202-39-967 % similar Piperidine-4-carboxylic acid ethyl ester hydrochloride147636-76-864 % similar Methyl cyclopropanecarboxylate2868-37-363 % similar 1,4-Dimethyl trans-1,4-cyclohexanedicarboxylate3399-22-263 % similar Dimethyl 1,4-cyclohexanedicarboxylate94-60-063 % 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 1-Methylpiperidine-3-carboxylic acid hydrochloride19999-64-5 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

Elsewhere

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