1-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)piperazine

C19H22N2CAS 69159-50-8278.40 g/mol

Open in Covalent MOL file
NHN
Secondary amineTertiary amine

Properties

Molecular formula
C19H22N2
Molar mass
278.40 g/mol
Exact mass
278.1783 Da
Melting point
109 °C
logP
2.78Crippen estimate
Polar surface area
15.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
69159-50-8
SMILES
c1ccc2c(c1)CCc1ccccc1C2N1CCNCC1
InChIKey
MDBCLUYDTRHKCA-UHFFFAOYSA-N
InChI
InChI=1S/C19H22N2/c1-3-7-17-15(5-1)9-10-16-6-2-4-8-18(16)19(17)21-13-11-20-12-14-21/h1-8,19-20H,9-14H2

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Names and synonyms

2 names
  • Piperazine, 1-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)-
  • 5-(Suberan-5-yl)piperazine

Work with 1-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)piperazine

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

Diphenylmethylpiperazine841-77-058 % similar (-)-1-[(4-Chlorophenyl)phenylmethyl]piperazine130018-88-147 % similar 1-(4-Fluoro-alpha-phenylbenzyl)piperazine27064-89-747 % similar (-)-1-[(4-Chlorophenyl)phenylmethyl]piperazine300543-56-047 % similar Norchlorcyclizine303-26-447 % similar 2,3,4,5-Tetrahydro-1H-benzo(d)azepine4424-20-845 % similar 1-[Bis(4-fluorophenyl)methyl]piperazine27469-60-944 % similar 1-(4,4'-Dichlorobenzhydryl)piperazine27469-61-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Triprolidine486-12-4

Elsewhere

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