Piperidine, 1,1'-(1,3-butadiyne-1,4-diyl)bis(4-(ethynyloxy)-2,2,5-trimetyl-, dihydrochloride
Basic information
- CAS
37636-20-7- Standard SMILES
C#COC1CC(C)(C)N(C#CC#CN2CC(C)C(OC#C)CC2(C)C)CC1C.Cl.Cl- InChIKey
QADGMISMPFGCMC-UHFFFAOYSA-N- Molecular formula
- C24H34Cl2N2O2
- Average molar mass
- 453.4 g/mol
- Monoisotopic mass
- 452.1997337
Names & identifiers
- Preferred name
- Piperidine, 1,1'-(1,3-butadiyne-1,4-diyl)bis(4-(ethynyloxy)-2,2,5-trimetyl-, dihydrochloride
- IUPAC
- 4-ethynoxy-1-[4-(4-ethynoxy-2,2,5-trimethylpiperidin-1-yl)buta-1,3-diynyl]-2,2,5-trimethylpiperidine;dihydrochloride
Names & synonyms
37636-20-7Piperidine, 1,1'-(1,3-butadiyne-1,4-diyl)bis(4-(ethynyloxy )-2,2,5-trimetyl-, dihydrochlorideDTXSID309586811,1'-(Buta-1,3-diyne-1,4-diyl)bis[4-(ethynyloxy)-2,2,5-trimethylpiperidine]--hydrogen chloride (1/2)
Database identifiers
- CAS
37636-20-7- PubChem CID
- 169945
- DTXSID
DTXSID30958681
Properties
Computed structural properties
- Topological polar surface area
- 24.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 740
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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