trans-1-Cinnamylpiperazine

C₁₃H₁₈N₂CAS 87179-40-6202.30 g/mol

Open in Covalent MOL file

Alkene Secondary amine Tertiary amine

Properties

Molecular formula: C₁₃H₁₈N₂
Molar mass: 202.30 g/mol
Exact mass: 202.1470 Da
logP: 1.60Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3
Double bonds: EE/Z, in SMILES order

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

87179-40-6

SMILES

C1CN(CCN1)C/C=C/C2=CC=CC=C2

InChIKey

WGEIOMTZIIOUMA-QPJJXVBHSA-N

InChI

InChI=1S/C13H18N2/c1-2-5-13(6-3-1)7-4-10-15-11-8-14-9-12-15/h1-7,14H,8-12H2/b7-4+

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Names and synonyms

1 names

1-Cinnamylpiperazine

Work with trans-1-Cinnamylpiperazine

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.

1-Cinnamylpiperazine18903-01-0Stereo not defined

Similar compounds

Cinnarizine298-57-757 % similar Bucinnazine17719-89-051 % similar Flunarizine52468-60-749 % similar 1-Benzylpiperazine2759-17-348 % similar 1-Benzylpiperazine2759-28-648 % similar 1-(2-Phenylethyl)piperazine5321-49-348 % similar Flunarizine hydrochloride30484-77-646 % similar 4-Benzylpiperazine hydrochloride110475-31-544 % similar

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

Same formula

Rel-(3aR,6aS)-Octahydro-2-(phenylmethyl)pyrrolo[3,4-c]pyrrole172739-04-7 3-(Butylphenylamino)propanenitrile61852-40-2

Elsewhere

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