Basic information
- CAS
1005110-57-5- Standard SMILES
O=C(O)C1C2C=CC(C2)C1C(=O)N1CCC(Cc2ccccc2)CC1- InChIKey
VVBQHCRMLCIBDR-UHFFFAOYSA-N- Molecular formula
- C21H25NO3
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.18344366
Names & identifiers
- Preferred name
- 3-[(4-Benzylpiperidin-1-yl)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
- IUPAC
- 3-(4-benzylpiperidine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Names & synonyms
1005110-57-53-(4-BENZYLPIPERIDINE-1-CARBONYL)BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID3-[(4-benzyl-1-piperidinyl)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid3-[[4-(Phenylmethyl)-1-piperidinyl]carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acidChemDiv2_001523Oprea1_864839AK-968/12574386DTXSID401126110HMS1373F05STK438297AKOS001698328AKOS022167884
Show more names
3-[(4-benzylpiperidin-1-yl)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acidEU-0049988ST509218363-{[4-benzylpiperidyl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Database identifiers
- CAS
1005110-57-5- PubChem CID
- 2932499
- DTXSID
DTXSID401126110
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 543
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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