trans-5-phenyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole

HCID 22809263

Basic information

Standard SMILES
c1ccc(N2c3ccccc3[C@@H]3CNCC[C@H]32)cc1
InChIKey
CJWPRFAPIUPOSX-DOTOQJQBSA-N
Molecular formula
C17H18N2
Average molar mass
250.34 g/mol

Names & identifiers

Preferred name
trans-5-phenyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
IUPAC
(4aR,9bR)-5-phenyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole

Names & synonyms

SCHEMBL11052131CJWPRFAPIUPOSX-DOTOQJQBSA-Ntrans-5-phenyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole(+/-)-trans-2,3,4,4a,5,9b-hexahydro-5-phenyl-1H-pyrido[4,3-b]indole

Database identifiers

PubChem CID
22809263

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
15.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
19

Related reactions

4 records

Compound notes

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