Ethyl 1-(4,4-diphenylbut-3-en-1-yl)-4-phenylpiperidine-4-carboxylate--hydrogen chloride (1/1)
Basic information
- CAS
14106-90-2- Standard SMILES
CCOC(=O)C1(c2ccccc2)CC[NH+](CCC=C(c2ccccc2)c2ccccc2)CC1.[Cl-]- InChIKey
OSOPBCVPYLWOCU-UHFFFAOYSA-N- Molecular formula
- C30H34ClNO2
- Average molar mass
- 476 g/mol
- Monoisotopic mass
- 475.227807
Names & identifiers
- Preferred name
- Ethyl 1-(4,4-diphenylbut-3-en-1-yl)-4-phenylpiperidine-4-carboxylate--hydrogen chloride (1/1)
- IUPAC
- ethyl 1-(4,4-diphenylbut-3-enyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride
Names & synonyms
14106-90-2DTXSID50930984Ethyl 1-(4,4-diphenylbut-3-en-1-yl)-4-phenylpiperidine-4-carboxylate--hydrogen chloride (1/1)RefChem:1084709DTXCID001359701Isonipecotic acid, 1-(4,4-diphenyl-3-butenyl)-4-phenyl-, ethyl ester, hydrochloride1-(4,4-Diphenyl-3-butenyl)-4-phenylisonipecotic acid ethyl ester hydrochloride4-Piperidinecarboxylic acid, 1-(4,4-diphenyl-3-butenyl)-4-phenyl-, ethyl ester hydrochloride
Database identifiers
- CAS
14106-90-2- PubChem CID
- 26461
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 595
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Compound notes
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