Basic information
- Standard SMILES
CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.Cl.O- InChIKey
WIEAKZDWJQYIEJ-UHFFFAOYSA-N- Molecular formula
- C32H42ClNO5
- Average molar mass
- 556.1 g/mol
Names & identifiers
- Preferred name
- 4-[(4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-alpha,alpha-dimethylbenzeneacetic acid hydrochloride hydrate
- IUPAC
- 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid;hydrate;hydrochloride
Names & synonyms
4-[4-(4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-alpha,alpha-dimethylbenzeneacetic acid hydrochloride hydrate4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-alpha,alpha-dimethylbenzeneacetic acid hydrochloride hydrateSCHEMBL48729WIEAKZDWJQYIEJ-UHFFFAOYSA-N4-[(4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-alpha,alpha-dimethylbenzeneacetic acid hydrochloride hydrate4-[4-[4(hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-alpha,alpha-dimethylbenzeneacetic acid hydrochloride hydrate4-[4-[4- (Hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-,-dimethylbenzeneacetic acid hydrochloride hydrate4-[4-[4-(hydroxydiphenylmethyl) -1-piperidinyl]-1-hydroxybutyl]-alpha,alpha-dimethylbenzeneacetic acid hydrochloride hydrate4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-,-dimethylbenzeneacetic acid hydrochloride hydrate4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]1-hydroxybutyl]-alpha,alpha-dimethylbenzeneacetic acid hydrochloride hydrate
Database identifiers
- PubChem CID
- 11613748
Properties
Computed structural properties
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 678
Related reactions
61 records
Compound notes
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