chempirical

Cyproheptadine

C21H21NCAS 129-03-3287.41 g/mol

Open in Covalent MOL file
N
AlkeneTertiary amine

Properties

Molecular formula
C21H21N
Molar mass
287.41 g/mol
Exact mass
287.1674 Da
Melting point
112.3–113.3 °C
logP
4.70Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

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

Identifiers

CAS number
129-03-3
SMILES
CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1
InChIKey
JJCFRYNCJDLXIK-UHFFFAOYSA-N
InChI
InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Piperidine, 4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methyl-
  • 4-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-1-methylpiperidine
  • 1-Methyl-4-(5H-dibenzo[a,d]cycloheptenylidene)piperidine
  • Periactinol
  • 1-Methyl-4-(dibenzo[a,e]cycloheptatrien-5-ylidene)piperidine
  • Cycloheptadine

Work with Cyproheptadine

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.

Cyproheptadine hydrochloride969-33-5Salt Cyproheptadine hydrochloride sesquihydrate41354-29-4Salt

Similar compounds

Pizotifen15574-96-653 % similar Ketotifen34580-13-746 % similar Cyclobenzaprine hydrochloride6202-23-943 % similar 11-(1-Methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[D]imidazo[1,2-A]azepine147083-36-143 % similar Ketotifen fumarate34580-14-841 % similar Alcaftadine147084-10-441 % similar Azatadine maleate3978-86-741 % similar Pizotifen malate5189-11-738 % similar

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

Same formula

Tri-p-tolylamine1159-53-1 Tribenzylamine620-40-6 Naftifine65472-88-0

Elsewhere

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