Basic information
- CAS
78033-79-1- Standard SMILES
CCCCOCC#CCN1CCC(OC(=O)CC)(c2ccccc2)CC1.Cl- InChIKey
HZWOFIJKQBXAIS-UHFFFAOYSA-N- Molecular formula
- C22H32ClNO3
- Average molar mass
- 393.9 g/mol
- Monoisotopic mass
- 393.2070716
Names & identifiers
- Preferred name
- 4-Piperidinol, 1-(4-butoxy-2-butynyl)-4-phenyl-, propionate (ester), hydrochloride
- IUPAC
- [1-(4-butoxybut-2-ynyl)-4-phenylpiperidin-4-yl] propanoate;hydrochloride
Names & synonyms
1-(4-Butoxy-2-butynyl)-4-phenyl-4-piperidinol propionate hydrochloride4-Piperidinol, 1-(4-butoxy-2-butynyl)-4-phenyl-, propionate (ester), hydrochloride78033-79-1DTXSID402286801-(4'-n-Butoxybutyn-2'-yl)-4-phenyl-propionyloxypiperidine hydrochloride1-(4'-n-Butoxybutyn-2'yl)-4-phenyl-4-propionyloxypiperidine hydrochloride1-(4-Butoxy-2-butynyl)-4-phenyl-4-piperidinol propionate (ester) hydrochlorideRefChem:295737DTXCID901511711-(4-Butoxybut-2-yn-1-yl)-4-phenylpiperidin-4-yl propanoate--hydrogen chloride (1/1)
Database identifiers
- CAS
78033-79-1- PubChem CID
- 3060331
- DTXSID
DTXSID40228680
Properties
Computed structural properties
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 476
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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