Bicyclo(2.2.1)heptan-2-ol, 3-(1-piperidinylmethyl)-1,7,7-trimethyl-, 3,4,5-trimethoxybenzoate(ester), hydrochloride

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Basic information

CAS: 17092-60-3
Standard SMILES: COc1cc(C(=O)OC2C(CN3CCCCC3)C3CCC2(C)C3(C)C)cc(OC)c1OC.Cl
InChIKey: AIVJYCGCGWZGME-UHFFFAOYSA-N
Molecular formula: C26H40ClNO5
Average molar mass: 482 g/mol
Monoisotopic mass: 481.2595011

Names & identifiers

Preferred name: Bicyclo(2.2.1)heptan-2-ol, 3-(1-piperidinylmethyl)-1,7,7-trimethyl-, 3,4,5-trimethoxybenzoate(ester), hydrochloride
IUPAC: [1,7,7-trimethyl-3-(piperidin-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl] 3,4,5-trimethoxybenzoate;hydrochloride

Names & synonyms

2-Bornanol, 3-(piperidinomethyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride17092-60-33,4,5-Trimetossibenzoato di 3-piperidinometil-2-bornanolo cloridrato [Italian]Bicyclo(2.2.1)heptan-2-ol, 3-(1-piperidinylmethyl)-1,7,7-trimethyl-, 3,4,5-trimethoxybenzoate(ester), hydrochloride3,4,5-Trimetossibenzoato di 3-piperidinometil-2-bornanolo cloridratoRefChem:329209DTXSID609378631,7,7-Trimethyl-3-[(piperidin-1-yl)methyl]bicyclo[2.2.1]heptan-2-yl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)

Database identifiers

CAS: 17092-60-3
PubChem CID: 204889
DTXSID: DTXSID60937863

Properties

Computed structural properties

Topological polar surface area: 57.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 33
Formal charge: 0
Complexity: 649

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Compound notes

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