5-benzyl-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole

C19H22N2 — CID 15607671

IUPAC5-benzyl-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
SMILESCN1CCC2C(C1)c1ccccc1N2Cc1ccccc1
InChIInChI=1S/C19H22N2/c1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15/h2-10,17,19H,11-14H2,1H3
InChIKeyOFPJOWXBDHSDOQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.49
Rot. Bonds2

About 5-benzyl-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole

5-benzyl-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole (PubChem CID 15607671) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-benzyl-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-benzyl-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
PubChem CID15607671
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name5-benzyl-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
SMILESCN1CCC2C(C1)c1ccccc1N2Cc1ccccc1
InChIInChI=1S/C19H22N2/c1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15/h2-10,17,19H,11-14H2,1H3
InChIKeyOFPJOWXBDHSDOQ-UHFFFAOYSA-N
XLogP3.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(10bR)-6-benzyl-2,9-dimethyl-1,3,4,5,5a,10b-hexahydroazepino[4,3-b]indole
CID 58147095
(4aR,9bS)-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
CID 139738847
5-(2-phenylethyl)-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole
CID 18788976
2-[(3aR,8bS)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl]ethanamine
CID 129383600
(9-benzyl-1,2,3,4,4a,9a-hexahydrocarbazol-1-yl) thiocyanate
CID 73164123
(2S,7R)-5-methyl-1,5-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-8,10,12(21),14,16,18-hexaene
CID 126700323
4-benzyl-1-methylpiperidine;ethane
CID 142009767
(2R,7S)-4-methyl-4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
CID 86736419
(1S,6R)-7-benzyl-7-azabicyclo[4.2.0]octan-8-one
CID 14190975
1-benzyl-2-(1-methylpyrrolidin-3-yl)piperidine-4-carbaldehyde
CID 54289810
(2S,7S)-4-methyl-14-thia-4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
CID 56843495
1-benzyl-3-phenyl-2,3-dihydroindazole
CID 173105604

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 5-benzyl-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole (CID 15607671) is 5-benzyl-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 5-benzyl-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 5-benzyl-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole is CN1CCC2C(C1)c1ccccc1N2Cc1ccccc1.
What is the InChIKey of 5-benzyl-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole?
The InChIKey is OFPJOWXBDHSDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15/h2-10,17,19H,11-14H2,1H3.
What are the key properties of 5-benzyl-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole?
5-benzyl-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole has a molecular weight of 278.40 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 15607671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).