1-(4-Benzylpiperazin-1-yl)-2-[(4-butoxyphenyl)methylamino]-3-phenylpropan-1-one

HCID 67005374
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Basic information

Standard SMILES
CCCCOc1ccc(CNC(Cc2ccccc2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIKey
LUGKFBCELHSTHQ-UHFFFAOYSA-N
Molecular formula
C31H39N3O2
Average molar mass
485.7 g/mol
Monoisotopic mass
485.3042275

Names & identifiers

Preferred name
1-(4-Benzylpiperazin-1-yl)-2-[(4-butoxyphenyl)methylamino]-3-phenylpropan-1-one
IUPAC
1-(4-benzylpiperazin-1-yl)-2-[(4-butoxyphenyl)methylamino]-3-phenylpropan-1-one

Names & synonyms

SCHEMBL1361537

Database identifiers

PubChem CID
67005374

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
44.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
12
Heavy atoms
36

Related reactions

2 records
New reaction record

Compound notes

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