Basic information
- Standard SMILES
C=CCN1CC(C)N(C(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)CC1C- InChIKey
LBLDMHBSVIVJPM-UHFFFAOYSA-N- Molecular formula
- C27H37N3O2
- Average molar mass
- 435.6 g/mol
Names & identifiers
- Preferred name
- 4-[(2,5-dimethyl-4-prop-2-enylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
- IUPAC
- 4-[(2,5-dimethyl-4-prop-2-enylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
Names & synonyms
CHEMBL3038554-[(4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-N,N-diethyl-benzamideSCHEMBL4576398LBLDMHBSVIVJPM-UHFFFAOYSA-NFGA83650BDBM500390284-[(2,5-dimethyl-4-prop-2-enylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamideQ4836836Piperazine, 2,5-dimethyl-1-[[.alpha.-hydroxyphenyl-4-(N,N-diethylamino)4-[(4-Allyl-2,5-dimethyl-1-piperazinyl)(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide #
Database identifiers
- PubChem CID
- 2494
- ChEMBL
CHEMBL303855
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 600
Related reactions
4 records
Compound notes
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