Basic information
- CAS
67195-29-3- Standard SMILES
CN1CCN(CCC2(O)c3ccccc3CCc3ccccc32)CC1- InChIKey
QSQPJYKPCAFECJ-UHFFFAOYSA-N- Molecular formula
- C22H28N2O
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 336.22016352
Names & identifiers
- Preferred name
- 5H-Dibenzo(a,d)cyclohepten-5-ol, 10,11-dihydro-5-(2-(4-methylpiperazinyl)ethyl)-
- IUPAC
- 2-[2-(4-methylpiperazin-1-yl)ethyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
- English name
- 10,11-Dihydro-5-[2-(4-methylpiperazino)ethyl]-5H-dibenzo[a,d]cyclohepten-5-ol
- Molecular formula
- C22H28N2O
- Molecular weight
- 336.47
Names & synonyms
BRN 05646995H-DIBENZO(a,d)CYCLOHEPTEN-5-OL, 10,11-DIHYDRO-5-(2-(4-METHYLPIPERAZINYL)ETHYL)-67195-29-3DTXSID402174535-23-02-00097 (Beilstein Handbook Reference)10,11-Dihydro-5-(2-(4-methylpiperazinyl)ethyl)-5H-dibenzo(a,d)cyclohepten-5-olRefChem:305523DTXCID401399445-[2-(4-methylpiperazin-1-yl)ethyl]-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ol10,11-Dihydro-5-[2-(4-methylpiperazino)ethyl]-5H-dibenzo[a,d]cyclohepten-5-ol5H-Dibenzo[a,d]cyclohepten-5-ol, 10,11-dihydro-5-[2-(4-methyl-1-piperazinyl)ethyl]-
Database identifiers
- CAS
67195-29-3- PubChem CID
- 49407
- DTXSID
DTXSID40217453- Nikkaji
- J72.829B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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