Basic information
- Standard SMILES
C(#Cc1ccccc1)CN1CCCCC1- InChIKey
PJMAQEATSLLDCR-UHFFFAOYSA-N- Molecular formula
- C14H17N
- Average molar mass
- 199.29 g/mol
- Monoisotopic mass
- 199.13609954
Names & identifiers
- Preferred name
- 1-(3-Phenyl-2-propyn-1-yl)piperidine
- IUPAC
- 1-(3-phenylprop-2-ynyl)piperidine
- English name
- 1-Piperidino-3-phenyl-2-propyne
- Molecular formula
- C14H17N
- Molecular weight
- 199.29
Names & synonyms
2568-57-2Piperidine, 1-(3-phenyl-2-propynyl)-1-(3-PHENYL-2-PROPYN-1-YL)PIPERIDINEDTXSID60180372RefChem:1054221DTXCID701028631-(3-phenylprop-2-yn-1-yl)piperidine1-(3-Phenyl-2-propynyl)piperidineBRN 0148516F1727-02761-(3-Phenyl-prop-2-ynyl)-piperidine5-20-02-00082 (Beilstein Handbook Reference)
Show more names
1-Piperidino-3-phenyl-2-propyne1-Phenyl-3-piperidino-1-propyne1-(3-Phenylpropargyl)piperidinePiperidine, 1-(3-phenyl-2-propyn-1-yl)-
SCHEMBL5730065SCHEMBL6292266CHEMBL1907130(3-phenylprop-2-ynyl)piperidineHMS1675P17SMSSF-0424231CCG-15347STK729081
Database identifiers
- CAS
2568-57-2- PubChem CID
- 200711
- DTXSID
DTXSID60180372- ChEMBL
CHEMBL1907130- Nikkaji
- J50.677J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Boiling point
- 175 · 175-180 °C(Press: 18 Torr)
- Density
- 1.0054 g/cm3 · 1.0054 g/cm3
- pka
- 7.84 · 7.84±0.10(Predicted)
Related reactions
2 records
Linked notes
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