Basic information
- CAS
96001-66-0- Standard SMILES
CN1CCCC(OC(=O)C2(O)c3ccccc3CCc3ccccc32)C1- InChIKey
KSXVDJKOZRKKQB-UHFFFAOYSA-N- Molecular formula
- C22H25NO3
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.18344366
Names & identifiers
- Preferred name
- 5H-Dibenzo(a,d)cycloheptene-5-carboxylic acid, 10,11-dihydro-5-hydroxy-, (1-methyl-3-piperidyl) ester
- IUPAC
- (1-methylpiperidin-3-yl) 2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate
Names & synonyms
5H-Dibenzo(a,d)cycloheptene-5-carboxylic acid, 10,11-dihydro-5-hydroxy-, (1-methyl-3-piperidyl) ester96001-66-01-Methyl-3-piperidyl 5-hydroxydibenzo(a,d)cycloheptadiene-5-carboxylateRefChem:305581DTXSID009146931-Methylpiperidin-3-yl 5-hydroxy-10,11-dihydro-5H-dibenzo[a,d][7]annulene-5-carboxylate
Database identifiers
- CAS
96001-66-0- PubChem CID
- 57002
- DTXSID
DTXSID00914693- Nikkaji
- J72.810A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 484
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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