Benzoic acid, p-(N-butyl-2-(piperidino)acetamido)-, butyl ester, hydrochloride

HCID 54178

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Basic information

CAS: 78329-88-1
Standard SMILES: CCCCOC(=O)c1ccc(N(CCCC)C(=O)C[NH+]2CCCCC2)cc1.[Cl-]
InChIKey: LSITYJBLGLJVBD-UHFFFAOYSA-N
Molecular formula: C22H35ClN2O3
Average molar mass: 411 g/mol
Monoisotopic mass: 410.2336207

Names & identifiers

Preferred name: Benzoic acid, p-(N-butyl-2-(piperidino)acetamido)-, butyl ester, hydrochloride
IUPAC: butyl 4-[butyl-(2-piperidin-1-ium-1-ylacetyl)amino]benzoate chloride

Names & synonyms

C 3181p-(N-Butyl-2-(piperidino)acetamido)benzoic acid butyl ester hydrochlorideBENZOIC ACID, p-(N-BUTYL-2-(PIPERIDINO)ACETAMIDO)-, BUTYL ESTER, HYDROCHLORIDE78329-88-1RefChem:327853

Database identifiers

CAS: 78329-88-1
PubChem CID: 54178

Properties

Computed structural properties

Topological polar surface area: 51.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 11
Heavy atoms: 28
Formal charge: 0
Complexity: 441

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