1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-(((phenylmethyl)amino)methyl)-

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Basic information

CAS: 143759-64-2
Standard SMILES: OC(CNCc1ccccc1)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIKey: LWPSLBQTDYKNEJ-UHFFFAOYSA-N
Molecular formula: C30H37F2N3O
Average molar mass: 493.6 g/mol
Monoisotopic mass: 493.29046914

Names & identifiers

Preferred name: 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-(((phenylmethyl)amino)methyl)-
IUPAC: 1-(benzylamino)-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol

Names & synonyms

1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-phenylmethylaminopropyl)piperazine143759-64-21-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-(((phenylmethyl)amino)methyl)-4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-(((phenylmethyl)amino)methyl)-1-piperazineethanol1-[4,4-Bis(4-fluorophenyl)butyl]-4-(2-hydroxy-3-phenylmethylaminopropyl)piperazineRefChem:233804CHEMBL61492SCHEMBL7751327DTXSID60932015LWPSLBQTDYKNEJ-UHFFFAOYSA-N1-(Benzylamino)-3-{4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl}propan-2-ol

Database identifiers

CAS: 143759-64-2
PubChem CID: 3072702
DTXSID: DTXSID60932015
ChEMBL: CHEMBL61492
Nikkaji: J1.766.511A

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 12
Heavy atoms: 36
Formal charge: 0
Complexity: 559

Related reactions

2 records

New reaction record

HRID 274908As productuspto-grants-1995_02

HRID 943181As productValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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