Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 3-(1-piperidinyl)propyl ester, hydrochloride

HCID 3077611

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Basic information

CAS: 134871-14-0
Standard SMILES: Cl.O=C(OCCCN1CCCCC1)C(O)(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIKey: MJELPYBCPNAPJE-UHFFFAOYSA-N
Molecular formula: C22H26Br2ClNO3
Average molar mass: 547.7 g/mol
Monoisotopic mass: 544.9968

Names & identifiers

Preferred name: Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 3-(1-piperidinyl)propyl ester, hydrochloride
IUPAC: 3-piperidin-1-ylpropyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate;hydrochloride

Names & synonyms

134871-14-0Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 3-(1-piperidinyl)propyl ester, hydrochlorideDTXSID90159011RefChem:324222DTXCID50815023-(1-Piperidinyl)propyl bis(4-bromophenyl)(hydroxy)acetate hydrochloride3-(Piperidin-1-yl)propyl bis(4-bromophenyl)(hydroxy)acetate--hydrogen chloride (1/1)

Database identifiers

CAS: 134871-14-0
PubChem CID: 3077611
DTXSID: DTXSID90159011

Properties

Computed structural properties

Topological polar surface area: 49.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 29
Formal charge: 0
Complexity: 460

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