4-Piperidinol, 1-isobutyl-4-phenyl-, propionate, hydrochloride
Basic information
- CAS
63938-87-4- Standard SMILES
CCC(=O)OC1(c2ccccc2)CCN(CC(C)C)CC1.Cl- InChIKey
BQGXUBAXUARNTB-UHFFFAOYSA-N- Molecular formula
- C18H28ClNO2
- Average molar mass
- 325.9 g/mol
- Monoisotopic mass
- 325.1808568
Names & identifiers
- Preferred name
- 4-Piperidinol, 1-isobutyl-4-phenyl-, propionate, hydrochloride
- IUPAC
- [1-(2-methylpropyl)-4-phenylpiperidin-4-yl] propanoate;hydrochloride
Names & synonyms
4-Piperidinol, 1-isobutyl-4-phenyl-, propionate, hydrochlorideNU-133463938-87-4DTXSID60213775Propionic acid, 4-(1-isobutyl-4-phenyl)piperidyl ester, hydrochlorideRefChem:295789DTXCID901362661-(2-Methylpropyl)-4-phenylpiperidin-4-yl propanoate--hydrogen chloride (1/1)
Database identifiers
- CAS
63938-87-4- PubChem CID
- 115394
- DTXSID
DTXSID60213775
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…