3-(3-cyanophenyl)-N-n-propylpiperidine
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Basic information
- CAS
150336-90-6- Standard SMILES
CCCN1CCCC(c2cccc(C#N)c2)C1- InChIKey
GQRIAOUUYRIMLH-UHFFFAOYSA-N- Molecular formula
- C15H20N2
- Average molar mass
- 228.33 g/mol
- Monoisotopic mass
- 228.16264865
Overview
a dopamine autoreceptor antagonist; RN given for (+-)-isomer
Names & identifiers
- Preferred name
- 3-(3-cyanophenyl)-N-n-propylpiperidine
- IUPAC
- 3-(1-propylpiperidin-3-yl)benzonitrile
- English name
- 3-(3-cyanophenyl)-N-n-propylpiperidine
- Molecular formula
- C15H20N2
- Molecular weight
- 228.33
Names & synonyms
150336-90-6DS121 Cpd3-(3-Cyanophenyl)-N-n-propylpiperidineDS-121RefChem:9109573-(1-propylpiperidin-3-yl)benzonitrileCHEMBL1074923-(1-Propyl-3-piperidinyl)benzonitrileDTXSID40933909(-)-3-(1-Propyl-piperidin-3-yl)-benzonitrileSCHEMBL872942BDBM50041960
Show more names
Benzonitrile, 3-(1-propyl-3-piperidinyl)-
PD1616763-(1-Propyl-piperidin-3-yl)-benzonitrile(+)-3-(1-Propyl-piperidin-3-yl)-benzonitrileL007862Benzonitrile, 3-(1-propyl-3-piperidinyl)-, (+-)-
Database identifiers
- CAS
150336-90-6- PubChem CID
- 5119
- DTXSID
DTXSID40933909- ChEMBL
CHEMBL107492- Nikkaji
- J1.553.058H
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Boiling point
- 341 · 341.0±35.0 °C(Predicted)
- Density
- 1.04 · 1.04±0.1 g/cm3(Predicted)
- pka
- 9.21 · 9.21±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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