1H-Indol-5-ol, 3-(2-(4-amino-1-piperidinyl)ethyl)-, hydrochloride, hydrate (2:4:1)

HCID 215418

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Basic information

CAS: 35633-80-8
Standard SMILES: Cl.Cl.NC1CCN(CCc2c[nH]c3ccc(O)cc23)CC1
InChIKey: HSLLIHXBRAOZHR-UHFFFAOYSA-N
Molecular formula: C15H23Cl2N3O
Average molar mass: 332.3 g/mol
Monoisotopic mass: 331.1218178

Names & identifiers

Preferred name: 1H-Indol-5-ol, 3-(2-(4-amino-1-piperidinyl)ethyl)-, hydrochloride, hydrate (2:4:1)
IUPAC: 3-[2-(4-aminopiperidin-1-yl)ethyl]-1H-indol-5-ol;dihydrochloride

Names & synonyms

35633-80-81H-Indol-5-ol, 3-(2-(4-amino-1-piperidinyl)ethyl)-, hydrochloride, hydrate (2:4:1)3-(2-(4-Amino-1-piperidinyl)ethyl)-1H-indol-5-ol hydrochloride hydrate (2:4:1)DTXSID001891473-(2-(4-Aminopiperid-1-yl)ethyl)-5-hydroxyindole dihydrochloride hemihydrateRefChem:238651DTXCID301116383-[2-(4-aminopiperidin-1-yl)ethyl]-1h-indol-5-ol dihydrochloride3-(2-(4-Aminopiperidin-1-yl)ethyl)-1H-indol-5-ol dihydrochloride3-[2-(4-Aminopiperidin-1-yl)ethyl]-1H-indol-5-ol--hydrogen chloride (1/2)

Database identifiers

CAS: 35633-80-8
PubChem CID: 215418
DTXSID: DTXSID00189147

Properties

Computed structural properties

Topological polar surface area: 65.3 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 291

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