Basic information
- CAS
7498-34-2- Standard SMILES
CC1CCN(CC#CCN2CCC(C)CC2)CC1- InChIKey
SNISDSGGZVGUIM-UHFFFAOYSA-N- Molecular formula
- C16H28N2
- Average molar mass
- 248.41 g/mol
- Monoisotopic mass
- 248.2252489
Names & identifiers
- Preferred name
- 4-Methyl-1-[4-(4-methylpiperidin-1-yl)but-2-ynyl]piperidine
- IUPAC
- 4-methyl-1-[4-(4-methylpiperidin-1-yl)but-2-ynyl]piperidine
Names & synonyms
7498-34-2NSC4074324-methyl-1-[4-(4-methylpiperidin-1-yl)but-2-ynyl]piperidineDTXSID50324662NSC-4074321,1'-(But-2-yne-1,4-diyl)bis(4-methylpiperidine)
Database identifiers
- CAS
7498-34-2- PubChem CID
- 348245
- DTXSID
DTXSID50324662- Nikkaji
- J3.700.802H
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
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…