chempirical

4-Piperidinecarboxylic acid, hydrochloride (1:1)

C6H12ClNO2CAS 5984-56-5165.62 g/mol

Open in Covalent MOL file
HClOHONH
Carboxylic acidSecondary amine

Properties

Molecular formula
C6H12ClNO2
Molar mass
165.62 g/mol
Exact mass
165.0557 Da
Melting point
293 °C (decomposes)
logP
0.49Crippen estimate
Polar surface area
49.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
5984-56-5
SMILES
Cl.O=C(O)C1CCNCC1
InChIKey
NVUYWKBRSRPYMH-UHFFFAOYSA-N
InChI
InChI=1S/C6H11NO2.ClH/c8-6(9)5-1-3-7-4-2-5;/h5,7H,1-4H2,(H,8,9);1H

Weigh it out

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

Names and synonyms

2 names
  • Isonipecotic acid, hydrochloride
  • 4-Piperidinecarboxylic acid, hydrochloride

Work with 4-Piperidinecarboxylic acid, hydrochloride (1:1)

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

Isonipecotic acid498-94-287 % similar (3R)-3-Pyrrolidinecarboxylic acid72580-54-267 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-758 % similar Cyclopropanecarboxylic acid1759-53-158 % similar 1,4-Cyclohexanedicarboxylic acid619-81-858 % similar trans-1,4-Cyclohexanedicarboxylic acid619-82-958 % similar Cyclopentanecarboxylic acid3400-45-154 % similar Cyclobutanecarboxylic acid3721-95-754 % similar

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

Same formula

(1S,2R)-(+)-2-Amino-1-cyclopentanecarboxylic acid hydrochloride128052-92-6 cis-2-Amino-1-cyclopentanecarboxylic acid hydrochloride128110-37-2 Methyl prolinate hydrochloride2133-40-6 2-Aminoethyl methacrylate hydrochloride2420-94-2 (R)-Proline methyl ester hydrochloride65365-28-8 (E)-4-(Dimethylamino)-2-butenoic acid hydrochloride848133-35-7

Elsewhere

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