1-(Naphthalen-1-yloxy)-3-piperazin-1-yl-propan-2-ol
Basic information
- CAS
75375-26-7- Standard SMILES
OC(COc1cccc2ccccc12)CN1CCNCC1- InChIKey
PODKTVHURWLQLF-UHFFFAOYSA-N- Molecular formula
- C17H22N2O2
- Average molar mass
- 286.37 g/mol
- Monoisotopic mass
- 286.16812795
Names & identifiers
- Preferred name
- 1-(Naphthalen-1-yloxy)-3-piperazin-1-yl-propan-2-ol
- IUPAC
- 1-naphthalen-1-yloxy-3-piperazin-1-ylpropan-2-ol
- English name
- 1-(NAPHTHALEN-1-YLOXY)-3-PIPERAZIN-1-YL-PROPAN-2-OL
- Molecular formula
- C17H22N2O2
- Molecular weight
- 286.37
Names & synonyms
75375-26-71-(Naphthalen-1-yloxy)-3-piperazin-1-yl-propan-2-ol1-(naphthalen-1-yloxy)-3-(piperazin-1-yl)propan-2-ol1-naphthalen-1-yloxy-3-piperazin-1-ylpropan-2-olMFCD00205694BAS 00226354Naftopidil Impurity 3Oprea1_243732Oprea1_444160SCHEMBL7278954PODKTVHURWLQLF-UHFFFAOYSA-NALBB-031181
Show more names
AKOS BBS-00005849TIMTEC-BB SBB0122591-Piperazineethanol, α-[(1-naphthalenyloxy)methyl]-
SBB012259STK927657AKOS000270543AKOS0160399731-naphthyloxy-3-piperazinylpropan-2-ol3-naphthyloxy-1-piperazinylpropan-2-olST078178DB-362999
Database identifiers
- CAS
75375-26-7- PubChem CID
- 3095149
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Boiling point
- 493.1 · 493.1±40.0 °C(Predicted)
- Density
- 1.154 · 1.154±0.06 g/cm3(Predicted)
- pka
- 14.01 · 14.01±0.20(Predicted)
Chemistry & industry
Applications
Uses1-(naphthalen-1-yloxy)-3-(piperazin-1-yl)propan-2-olis an impurity of Naftopidil (N213501), an α-1-adrenergic receptor antagonist and an antihypertensive agent.
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Related reactions
2 records
Compound notes
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