1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-(4-pyridinyl)-, (4a-alpha,5-alpha,9b-alpha)-

HCID 55867

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Basic information

CAS: 88763-55-7
Standard SMILES: c1ccc2c(c1)[C@@H](c1ccncc1)[C@@H]1CCCN[C@H]21
InChIKey: RDAYWIILEIAASU-GVDBMIGSSA-N
Molecular formula: C17H18N2
Average molar mass: 250.34 g/mol
Monoisotopic mass: 250.14699858

Names & identifiers

Preferred name: 1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-(4-pyridinyl)-, (4a-alpha,5-alpha,9b-alpha)-
IUPAC: (4aS,5R,9bS)-5-pyridin-4-yl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine

Names & synonyms

BRN 57525631H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-(4-pyridinyl)-, (4a-alpha,5-alpha,9b-alpha)-88763-55-7RefChem:238621CHEMBL136176DTXSID9010083775-(Pyridin-4-yl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine(4aS,5R,9bS)-5-(pyridin-4-yl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine

Database identifiers

CAS: 88763-55-7
PubChem CID: 55867
DTXSID: DTXSID901008377
ChEMBL: CHEMBL136176

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 24.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 310

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