Aniline, p-methoxy-N-(2-piperidinoethyl)-N-(2-pyridylmethyl)-, hydrochloride

HCID 33932

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Basic information

CAS: 27540-35-8
Standard SMILES: COc1ccc(N(CC[NH+]2CCCCC2)Cc2ccccn2)cc1.[Cl-]
InChIKey: MCWFAXZYDVHUSZ-UHFFFAOYSA-N
Molecular formula: C20H28ClN3O
Average molar mass: 361.9 g/mol
Monoisotopic mass: 361.1920902

Names & identifiers

Preferred name: Aniline, p-methoxy-N-(2-piperidinoethyl)-N-(2-pyridylmethyl)-, hydrochloride
IUPAC: 4-methoxy-N-(2-piperidin-1-ium-1-ylethyl)-N-(pyridin-2-ylmethyl)aniline chloride

Names & synonyms

N-(2-Picolyl)-N-(4-methoxyphenyl)-N-(2-piperidinoethyl)amine hydrochlorideANILINE, p-METHOXY-N-(2-PIPERIDINOETHYL)-N-(2-PYRIDYLMETHYL)-, HYDROCHLORIDE27540-35-8RefChem:319673

Database identifiers

CAS: 27540-35-8
PubChem CID: 33932

Properties

Computed structural properties

Topological polar surface area: 29.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 25
Formal charge: 0
Complexity: 338

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