Basic information
- CAS
74229-23-5- Standard SMILES
O.Oc1ccc2oc(CN3CCN(c4ccccc4)CC3)c(-c3ccccc3)c2c1CN1CCCCC1- InChIKey
MRCTYZMQEDTVBP-UHFFFAOYSA-N- Molecular formula
- C31H37N3O3
- Average molar mass
- 499.6 g/mol
- Monoisotopic mass
- 499.28349205
Names & identifiers
- Preferred name
- 5-Benzofuranol, 3-phenyl-2-((4-phenyl-1-piperazinyl)methyl)-4-piperidinomethyl-, hemihydrate
- IUPAC
- 3-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-4-(piperidin-1-ylmethyl)-1-benzofuran-5-ol;hydrate
Names & synonyms
5-Benzofuranol, 3-phenyl-2-((4-phenyl-1-piperazinyl)methyl)-4-piperidinomethyl-, hemihydrate74229-23-5DTXSID302252245-Hydroxy-3-phenyl-2-(N-phenylpiperazinomethyl)-4-piperidinomethylbenzofuran hemihydrateRefChem:301228DTXCID301477153-Phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-4-[(piperidin-1-yl)methyl]-1-benzofuran-5-ol--water (1/1)
Database identifiers
- CAS
74229-23-5- PubChem CID
- 53007
- DTXSID
DTXSID30225224
Properties
Computed structural properties
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 665
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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