4-(1-Piperidinyl)-2-(E)-butenoicacid hydrochloride

C₉H₁₆ClNO₂CAS 197892-69-6205.68 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Tertiary amine

Properties

Molecular formula: C₉H₁₆ClNO₂
Molar mass: 205.68 g/mol
Exact mass: 205.0870 Da
logP: 1.53Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3
Double bonds: EE/Z, in SMILES order

Identifiers

CAS number

197892-69-6

SMILES

C1CCN(CC1)C/C=C/C(=O)O.Cl

InChIKey

DSQHWBRYZUFZDY-FXRZFVDSSA-N

InChI

InChI=1S/C9H15NO2.ClH/c11-9(12)5-4-8-10-6-2-1-3-7-10;/h4-5H,1-3,6-8H2,(H,11,12);1H/b5-4+;

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

Names and synonyms

1 names

2-Butenoic acid, 4-(1-piperidinyl)-, hydrochloride (1:1), (2E)-

Work with 4-(1-Piperidinyl)-2-(E)-butenoicacid 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

(E)-4-(Dimethylamino)-2-butenoic acid hydrochloride848133-35-759 % similar Queen bee acid14113-05-443 % similar 10-Hydroxy-2-decenoic acid765-01-543 % similar trans-2-Decenoic acid334-49-642 % similar 2-Nonenoic acid3760-11-042 % similar Traumatic acid6402-36-441 % similar Glutaconic acid1724-02-340 % similar trans-2-Octenoic acid1871-67-639 % similar

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

Elsewhere

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