6-fluoro-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole

C12H15FN2 — CID 83820061

IUPAC6-fluoro-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
SMILESCN1CCC2Nc3c(F)cccc3C2C1
InChIInChI=1S/C12H15FN2/c1-15-6-5-11-9(7-15)8-3-2-4-10(13)12(8)14-11/h2-4,9,11,14H,5-7H2,1H3
InChIKeyDXLFUOVOCVPAHV-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.04
Rot. Bonds

About 6-fluoro-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole

6-fluoro-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole (PubChem CID 83820061) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 6-fluoro-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name6-fluoro-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
PubChem CID83820061
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name6-fluoro-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
SMILESCN1CCC2Nc3c(F)cccc3C2C1
InChIInChI=1S/C12H15FN2/c1-15-6-5-11-9(7-15)8-3-2-4-10(13)12(8)14-11/h2-4,9,11,14H,5-7H2,1H3
InChIKeyDXLFUOVOCVPAHV-UHFFFAOYSA-N
XLogP2.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-fluorophenyl)sulfanyl-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
CID 76581904
(4aS)-6-(2,5-dichlorophenyl)sulfanyl-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
CID 143131419
8-bromo-2-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indole
CID 83825912
3-(2,3-difluorophenyl)-1-methylpyrrolidine
CID 67174874
4-(2,3-difluorophenyl)-1-methylpiperidine
CID 57438792
(4aR,9bS)-2,9-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
CID 171061003
[(3S,4R)-4-(2-fluorophenyl)-1-methylpiperidin-3-yl]methanol
CID 57377167
4-(3-fluoro-2-methoxyphenyl)-1-methylpiperidine
CID 58103915
1-(4-fluorophenyl)-4-(6-methylsulfanyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indol-2-yl)butan-1-one
CID 76581919
4-[3-fluoro-2-(3-fluoropropyl)phenyl]-1-methylpiperidine
CID 70262177
5-fluoro-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]quinolin-9-amine
CID 115008063
3-(3-chloro-2-fluorophenyl)-1-methylpyrrolidine
CID 67173873

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole?
The IUPAC name of 6-fluoro-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole (CID 83820061) is 6-fluoro-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole.
What is the SMILES notation for 6-fluoro-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole?
The canonical SMILES for 6-fluoro-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole is CN1CCC2Nc3c(F)cccc3C2C1.
What is the InChIKey of 6-fluoro-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole?
The InChIKey is DXLFUOVOCVPAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c1-15-6-5-11-9(7-15)8-3-2-4-10(13)12(8)14-11/h2-4,9,11,14H,5-7H2,1H3.
What are the key properties of 6-fluoro-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole?
6-fluoro-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole has a molecular weight of 206.26 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole is sourced from PubChem (CID 83820061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).