Biphenyl-4-yl[4-(2-methoxybenzyl)piperazin-1-yl]methanone
Basic information
- CAS
5996-08-7- Standard SMILES
COc1ccccc1CN1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1- InChIKey
IBYJTSQRQFHHEU-UHFFFAOYSA-N- Molecular formula
- C25H26N2O2
- Average molar mass
- 386.5 g/mol
- Monoisotopic mass
- 386.19942808
Names & identifiers
- Preferred name
- Biphenyl-4-yl[4-(2-methoxybenzyl)piperazin-1-yl]methanone
- IUPAC
- [4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone
Names & synonyms
ZINC201311995996-08-7CBMicro_039699Oprea1_143650biphenyl-4-yl[4-(2-methoxybenzyl)piperazin-1-yl]methanoneDTXSID70362102[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanoneMFCD02213226STK057679AKOS003651052BIM-0039745.P001ZINC000020131199
Show more names
COc1ccccc1CN1CCN(CC1)C(=O)c1ccc(cc1)c1ccccc11-(4-biphenylylcarbonyl)-4-(2-methoxybenzyl)piperazineBIPHENYL4YL(4(2METHOXYBENZYL)PIPERAZIN1YL)METHANONECOC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4(4((2METHOXYPHENYL)METHYL)PIPERAZIN1YL)(4PHENYLPHENYL)METHANONE([1,1'-Biphenyl]-4-yl){4-[(2-methoxyphenyl)methyl]piperazin-1-yl}methanone([1,1'-biphenyl]-4-yl){4-[(2-methoxyphenyl)methyl]piperazin-1-yl}methanone--oxalic acid (1/1)
Database identifiers
- CAS
5996-08-7- PubChem CID
- 1361084
- DTXSID
DTXSID70362102
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 503
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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