chempirical

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

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

Weigh it out

Type any one amount. The others follow from the molar mass.

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

Similar compounds

Methyl azetidine-3-carboxylate hydrochloride100202-39-967 % similar Methyl cyclopropanecarboxylate2868-37-363 % similar 1,4-Dimethyl trans-1,4-cyclohexanedicarboxylate3399-22-263 % similar Dimethyl 1,4-cyclohexanedicarboxylate94-60-063 % similar Methyl cyclopentanecarboxylate4630-80-259 % similar Methyl cyclohexanecarboxylate4630-82-457 % similar Methyl (3R)-3-piperidinecarboxylate164323-85-756 % similar Methyl tetrahydropyran-4-carboxylate110238-91-055 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

H-D-Pro-oet hcl131477-20-8 Cadabine hydrochloride4136-37-2 1-Methylisonipecotic acid hydrochloride71985-80-3

Elsewhere

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