Basic information
- CAS
7498-35-3- Standard SMILES
CC1CCCN(CC#CCN2CCCC(C)C2)C1- InChIKey
JLVLYPRQDMRODM-UHFFFAOYSA-N- Molecular formula
- C16H28N2
- Average molar mass
- 248.41 g/mol
- Monoisotopic mass
- 248.2252489
Names & identifiers
- Preferred name
- 1,1'-(But-2-yne-1,4-diyl)bis(3-methylpiperidine)
- IUPAC
- 3-methyl-1-[4-(3-methylpiperidin-1-yl)but-2-ynyl]piperidine
Names & synonyms
7498-35-3NSC4074331,1'-(But-2-yne-1,4-diyl)bis(3-methylpiperidine)DTXSID10324663NSC-407433
Database identifiers
- CAS
7498-35-3- PubChem CID
- 348246
- DTXSID
DTXSID10324663
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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