5H-Dibenzo(a,d)cycloheptene-5-carboxylic acid, 10,11-dihydro-5-hydroxy-, 1-methyl-4-piperidyl ester
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Basic information
- CAS
101565-03-1- Standard SMILES
CN1CCC(OC(=O)C2(O)c3ccccc3CCc3ccccc32)CC1- InChIKey
UMTIHXSMCWCTIP-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-4-piperidyl ester
- IUPAC
- (1-methylpiperidin-4-yl) 2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate
- English name
- 1-Methyl-4-piperidyl 5-hydroxy-10,11-dihydro-5H-dibenzo(a,d)cyclohepte ne-5-carboxylate
- Molecular weight
- 0
Names & synonyms
101565-03-15H-Dibenzo(a,d)cycloheptene-5-carboxylic acid, 10,11-dihydro-5-hydroxy-, 1-methyl-4-piperidyl esterDTXSID901440231-Methyl-4-piperidyl 5-hydroxy-10,11-dihydro-5H-dibenzo(a,d)cycloheptene-5-carboxylateRefChem:305582DTXCID70665141-methylpiperidin-4-yl 5-hydroxy-10,11-dihydro-5h-dibenzo[a,d][7]annulene-5-carboxylate(1-methylpiperidin-4-yl) 2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate1-Methyl-4-piperidyl 5-hydroxy-10,11-dihydro-5H-dibenzo(a,d)cyclohepte ne-5-carboxylate
Database identifiers
- CAS
101565-03-1- PubChem CID
- 58549
- DTXSID
DTXSID90144023- Nikkaji
- J72.811J
Properties
Computed structural propertiesFilling in
- 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
- 476
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Compound notes
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