chempirical

Dyclonine

C18H28ClNO2CAS 536-43-6325.88 g/mol

Open in Covalent MOL file
OONHCl
EtherKetoneTertiary amine

Properties

Molecular formula
C18H28ClNO2
Molar mass
325.88 g/mol
Exact mass
325.1809 Da
Melting point
175–176 °C
logP
4.35Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
8

Identifiers

CAS number
536-43-6
SMILES
CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1.Cl
InChIKey
KNZADIMHVBBPOA-UHFFFAOYSA-N
InChI
InChI=1S/C18H27NO2.ClH/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19;/h7-10H,2-6,11-15H2,1H3;1H

Weigh it out

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

Names and synonyms

12 names
  • 1-Propanone, 1-(4-butoxyphenyl)-3-(1-piperidinyl)-, hydrochloride (1:1)
  • Propiophenone, 4′-butoxy-3-piperidino-, hydrochloride
  • 1-Propanone, 1-(4-butoxyphenyl)-3-(1-piperidinyl)-, hydrochloride
  • 4′-Butoxy-3-piperidinopropiophenone hydrochloride
  • Dyclone
  • Dyclonine hydrochloride
  • Diclonina
  • Dyclothane
  • Tanaclone
  • Dyclocaine hydrochloride
  • Diclonine
  • 1-(4-Butoxyphenyl)-3-(piperidin-1-yl)propan-1-one hydrochloride

Work with Dyclonine

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

Dyclonine586-60-793 % similar Pramoxine hydrochloride637-58-159 % similar 4-(2-Piperidinoethoxy)benzoic acid hydrochloride84449-80-954 % similar 1-(4-Butoxyphenyl)ethanone5736-89-051 % similar 4-Butoxybenzoic acid1498-96-050 % similar 4-Butoxybenzoyl chloride33863-86-450 % similar 4-(Hexyloxy)benzoic acid1142-39-848 % similar 4-(Heptyloxy)benzoic acid15872-42-148 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook