Basic information
- CAS
592521-47-6- Standard SMILES
Clc1ccc(C(C#Cc2ccccc2)N2CCCCC2)cc1- InChIKey
YYRRCWUBKFHJII-UHFFFAOYSA-N- Molecular formula
- C20H20ClN
- Average molar mass
- 309.8 g/mol
- Monoisotopic mass
- 309.1284273
Names & identifiers
- Preferred name
- Piperidine, 1-[1-(4-chlorophenyl)-3-phenyl-2-propynyl]-
- IUPAC
- 1-[1-(4-chlorophenyl)-3-phenylprop-2-ynyl]piperidine
Names & synonyms
592521-47-6Piperidine, 1-[1-(4-chlorophenyl)-3-phenyl-2-propynyl]-DTXSID404603211-[1-(4-CHLOROPHENYL)-3-PHENYLPROP-2-YN-1-YL]PIPERIDINE1-[1-(4-chlorophenyl)-3-phenyl-prop-2-ynyl)-piperidine
Database identifiers
- CAS
592521-47-6- PubChem CID
- 11255331
- DTXSID
DTXSID40460321- Nikkaji
- J1.939.137J
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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