Basic information
- CAS
67195-20-4- Standard SMILES
c1ccc2c(c1)CCc1ccccc1C2CC1CCCCN1- InChIKey
IPDFJOQJFAQAIC-UHFFFAOYSA-N- Molecular formula
- C21H25N
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.1986998
Names & identifiers
- Preferred name
- 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-(2-piperidylmethyl)-
- IUPAC
- 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)piperidine
- English name
- 10,11-Dihydro-5-(2-piperidylmethyl)-5H-dibenzo[a,d]cycloheptene
- Molecular formula
- C21H25N
- Molecular weight
- 291.43
Names & synonyms
BRN 135048667195-20-410,11-Dihydro-5-(2-piperidylmethyl)-5H-dibenzo(a,d)cycloheptene5-20-08-00348 (Beilstein Handbook Reference)5H-DIBENZO(a,d)CYCLOHEPTENE, 10,11-DIHYDRO-5-(2-PIPERIDYLMETHYL)-RefChem:305552DTXSID109862202-[(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-yl)methyl]piperidine10,11-Dihydro-5-(2-piperidylmethyl)-5H-dibenzo[a,d]cycloheptenePiperidine, 2-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)methyl]-
Database identifiers
- CAS
67195-20-4- PubChem CID
- 49397
- DTXSID
DTXSID10986220- Nikkaji
- J72.820I
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Boiling point
- 420.2 · 420.2±14.0 °C(Predicted)
- Density
- 1.041 · 1.041±0.06 g/cm3(Predicted)
- pka
- 10.33 · 10.33±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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