Dyclonine

C18H27NO2CAS 586-60-7289.42 g/mol

Open in Covalent MOL file
OON
EtherKetoneTertiary amine

Properties

Molecular formula
C18H27NO2
Molar mass
289.42 g/mol
Exact mass
289.2042 Da
pKa
9
logP
3.92Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
586-60-7
SMILES
CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1
InChIKey
BZEWSEKUUPWQDQ-UHFFFAOYSA-N
InChI
InChI=1S/C18H27NO2/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

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

Names and synonyms

6 names
  • 1-Propanone, 1-(4-butoxyphenyl)-3-(1-piperidinyl)-
  • Propiophenone, 4′-butoxy-3-piperidino-
  • 1-(4-Butoxyphenyl)-3-(1-piperidinyl)-1-propanone
  • Dyclonin
  • 3-Piperidino-4′-butoxypropiophenone
  • Dyclocaine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Dyclonine536-43-6Salt

Similar compounds

1-(4-Butoxyphenyl)ethanone5736-89-055 % similar 4-Butoxybenzoic acid1498-96-053 % similar 4-Butoxybenzoyl chloride33863-86-453 % similar Pramoxine hydrochloride637-58-152 % similar Butyl 4-methoxyphenyl ketone1671-76-751 % similar 4-(Hexyloxy)benzoic acid1142-39-851 % similar 4-(Heptyloxy)benzoic acid15872-42-151 % similar 4-(Nonyloxy)benzoic acid15872-43-251 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ws-1268489-09-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook