1-(5-Methoxy-1H-indol-3-yl)-2-(piperidin-1-yl)ethan-1-one--hydrogen chloride (1/1)

HCID 44826

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Basic information

CAS: 63845-31-8
Standard SMILES: COc1ccc2[nH]cc(C(=O)C[NH+]3CCCCC3)c2c1.[Cl-]
InChIKey: GXTNLTUPJNQZIC-UHFFFAOYSA-N
Molecular formula: C16H21ClN2O2
Average molar mass: 308.8 g/mol
Monoisotopic mass: 308.1291556

Names & identifiers

Preferred name: 1-(5-Methoxy-1H-indol-3-yl)-2-(piperidin-1-yl)ethan-1-one--hydrogen chloride (1/1)
IUPAC: 1-(5-methoxy-1H-indol-3-yl)-2-piperidin-1-ium-1-ylethanone chloride

Names & synonyms

63845-31-8DTXSID309804871-(5-Methoxy-1H-indol-3-yl)-2-(piperidin-1-yl)ethan-1-one--hydrogen chloride (1/1)RefChem:1054514DTXCID901407763(5-Methoxy-3-indolyl)-(4-piperidyl-methyl)-keton hydrochlorid [German]Ethanone, 1-(5-methoxy-1H-indol-3-yl)-2-(4-piperidinyl)-, monohydrochlorideKETONE, 5-METHOXY-1H-INDOL-3-YL 4-PIPERIDYLMETHYL, MONOHYDROCHLORIDE(5-Methoxy-3-indolyl)-(4-piperidyl-methyl)-keton hydrochlorid

Database identifiers

CAS: 63845-31-8
PubChem CID: 44826

Properties

Computed structural properties

Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 341

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