ethyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-alpha,alpha-dimethylbenzeneacetate HCl
Basic information
- Standard SMILES
CCOC(=O)C(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.Cl- InChIKey
YFQLPWHOTLWVEE-UHFFFAOYSA-N- Molecular formula
- C34H44ClNO4
- Average molar mass
- 566.2 g/mol
- Monoisotopic mass
- 565.2958866
Names & identifiers
- Preferred name
- ethyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-alpha,alpha-dimethylbenzeneacetate HCl
- IUPAC
- ethyl 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoate;hydrochloride
Names & synonyms
SCHEMBL11365096YFQLPWHOTLWVEE-UHFFFAOYSA-Nethyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-alpha,alpha-dimethylbenzeneacetate HCl
Database identifiers
- PubChem CID
- 12939645
Properties
Computed structural properties
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 707
Related reactions
2 records
Compound notes
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