Basic information
- Standard SMILES
Cc1cnc(N2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1C(=O)O- InChIKey
AENHRULPTKSDPC-UHFFFAOYSA-N- Molecular formula
- C26H29N3O2
- Average molar mass
- 415.5 g/mol
- Monoisotopic mass
- 415.22597718
Names & identifiers
- Preferred name
- 2-[4-(3,3-Diphenyl-1-propyl)piperazin-1-yl]-5-methylisonicotinic acid
- IUPAC
- 2-[4-(3,3-diphenylpropyl)piperazin-1-yl]-5-methylpyridine-4-carboxylic acid
Names & synonyms
SCHEMBL5863754AENHRULPTKSDPC-UHFFFAOYSA-N2-[4-(3,3-diphenyl-1-propyl)piperazin-1-yl]-5-methylisonicotinic acid
Database identifiers
- PubChem CID
- 22180640
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 533
Related reactions
3 records
Compound notes
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