1-(2-(2-(Diphenyl)methoxy)ethyl)-4-(3-phenylpropyl)homopiperazine
Basic information
- CAS
150151-14-7- Standard SMILES
c1ccc(CCCN2CCCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1- InChIKey
IRSSQYPVPPWBSQ-UHFFFAOYSA-N- Molecular formula
- C29H36N2O
- Average molar mass
- 428.6 g/mol
- Monoisotopic mass
- 428.28276378
Overview
a potent & highly selective inhibitor of dopamine transport; structure given in first source
Names & identifiers
- Preferred name
- 1-(2-(2-(Diphenyl)methoxy)ethyl)-4-(3-phenylpropyl)homopiperazine
- IUPAC
- 1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)-1,4-diazepane
- English name
- 1-(2-(2-(diphenyl)methoxy)ethyl)-4-(3-phenylpropyl)homopiperazine
- Molecular formula
- C29H36N2O
- Molecular weight
- 428.61
Names & synonyms
150151-14-7LR-11111-(2-(2-(Diphenyl)methoxy)ethyl)-4-(3-phenylpropyl)homopiperazineDTXSID00164479RefChem:74021DTXCID5086970CHEMBL1429531-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)-1,4-diazepaneLR 1111SCHEMBL4199225BDBM500547501-(2-Benzhydryloxy-ethyl)-4-(3-phenyl-propyl)-[1,4]diazepane
Show more names
1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)-1,4-diazepane1H-1,4-Diazepine, 1-[2-(diphenylmethoxy)ethyl]hexahydro-4-(3-phenylpropyl)-
1H-1,4-Diazepine, 1-(2-(diphenylmethoxy)ethyl)hexahydro-4-(3-phenylpropyl)-
Database identifiers
- CAS
150151-14-7- PubChem CID
- 164487
- DTXSID
DTXSID00164479- ChEMBL
CHEMBL142953- Nikkaji
- J717.105F
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 15.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 462
Physicochemical properties
- Boiling point
- 548.6 · 548.6±50.0 °C(Predicted)
- Density
- 1.055 · 1.055±0.06 g/cm3(Predicted)
- pka
- 9.2 · 9.20±0.10(Predicted)
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Related reactions
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Compound notes
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