chempirical

4-(2-Piperidinoethoxy)benzoic acid hydrochloride

C14H20ClNO3CAS 84449-80-9285.77 g/mol

Open in Covalent MOL file
HClOHOON
Carboxylic acidEtherTertiary amine

Properties

Molecular formula
C14H20ClNO3
Molar mass
285.77 g/mol
Exact mass
285.1132 Da
Melting point
276–277 °C
logP
2.67Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5

Identifiers

CAS number
84449-80-9
SMILES
Cl.O=C(O)c1ccc(OCCN2CCCCC2)cc1
InChIKey
CMVTYSMYHSVDIU-UHFFFAOYSA-N
InChI
InChI=1S/C14H19NO3.ClH/c16-14(17)12-4-6-13(7-5-12)18-11-10-15-8-2-1-3-9-15;/h4-7H,1-3,8-11H2,(H,16,17);1H

Weigh it out

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

Names and synonyms

4 names
  • Benzoic acid, 4-[2-(1-piperidinyl)ethoxy]-, hydrochloride (1:1)
  • Benzoic acid, 4-[2-(1-piperidinyl)ethoxy]-, hydrochloride
  • 4-[2-(1-Piperidinyl)ethoxy]benzoic acid hydrochloride
  • 1-(2-(4-Carboxyphenoxy)ethyl)piperidin-1-ium chloride

Work with 4-(2-Piperidinoethoxy)benzoic 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

Similar compounds

4-(Hexyloxy)benzoic acid1142-39-857 % similar 4-(Heptyloxy)benzoic acid15872-42-157 % similar 4-(Nonyloxy)benzoic acid15872-43-257 % similar 4-(Undecyloxy)benzoic acid15872-44-357 % similar 4-(Dodecyloxy)benzoic acid2312-15-457 % similar Octyloxybenzoic acid2493-84-757 % similar 4-(Decyloxy)benzoic acid5519-23-357 % similar 4-Butoxybenzoic acid1498-96-056 % similar

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

Elsewhere

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