1-(6-fluoro-1,2-dimethylindol-3-yl)-3-morpholin-4-ylpropan-2-ol

C17H23FN2O2 — CID 165159934

IUPAC1-(6-fluoro-1,2-dimethylindol-3-yl)-3-morpholin-4-ylpropan-2-ol
SMILESCc1c(CC(O)CN2CCOCC2)c2ccc(F)cc2n1C
InChIInChI=1S/C17H23FN2O2/c1-12-16(10-14(21)11-20-5-7-22-8-6-20)15-4-3-13(18)9-17(15)19(12)2/h3-4,9,14,21H,5-8,10-11H2,1-2H3
InChIKeyOWFPZQHLGFKUEJ-UHFFFAOYSA-N
MW306.38 g/mol
LogP1.86
Rot. Bonds4

About 1-(6-fluoro-1,2-dimethylindol-3-yl)-3-morpholin-4-ylpropan-2-ol

1-(6-fluoro-1,2-dimethylindol-3-yl)-3-morpholin-4-ylpropan-2-ol (PubChem CID 165159934) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-(6-fluoro-1,2-dimethylindol-3-yl)-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-(6-fluoro-1,2-dimethylindol-3-yl)-3-morpholin-4-ylpropan-2-ol
PubChem CID165159934
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name1-(6-fluoro-1,2-dimethylindol-3-yl)-3-morpholin-4-ylpropan-2-ol
SMILESCc1c(CC(O)CN2CCOCC2)c2ccc(F)cc2n1C
InChIInChI=1S/C17H23FN2O2/c1-12-16(10-14(21)11-20-5-7-22-8-6-20)15-4-3-13(18)9-17(15)19(12)2/h3-4,9,14,21H,5-8,10-11H2,1-2H3
InChIKeyOWFPZQHLGFKUEJ-UHFFFAOYSA-N
XLogP1.86
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

9H-Carbazole-9-ethanol, alpha-(1-piperidinylmethyl)-
CID 56210
Flutroline
CID 51174
1-(9H-Carbazol-9-yl)-3-(morpholin-4-yl)propan-2-ol
CID 56212
1-(2,3-dimethyl-1H-indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 4229169
2-(1-phenyl-1H-indol-3-yl)ethan-1-ol
CID 775713
alpha-((Dipropylamino)methyl)-9H-carbazole-9-ethanol
CID 2802130
2-(1-methyl-1H-indol-3-yl)ethan-1-ol
CID 12247806
1-(1-methyl-1H-indol-3-yl)-2-(1-piperidinyl)ethanol
CID 315014
[1-(methoxymethyl)-1H-indol-2-yl](phenyl)methanol
CID 11842269
1-Morpholin-4-yl-3-(1,2,3,4-tetrahydro-carbazol-9-yl)-propan-2-ol
CID 14415827
1-[bis(2-hydroxyethyl)amino]-3-(2,3-dimethyl-1H-indol-1-yl)propan-2-ol
CID 16188855
(1S,2R)-1-(3-fluorophenyl)-1-(3-methyl-1H-indol-1-yl)-3-(methylamino)propan-2-ol
CID 44626374

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1,2-dimethylindol-3-yl)-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-(6-fluoro-1,2-dimethylindol-3-yl)-3-morpholin-4-ylpropan-2-ol (CID 165159934) is 1-(6-fluoro-1,2-dimethylindol-3-yl)-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-(6-fluoro-1,2-dimethylindol-3-yl)-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-(6-fluoro-1,2-dimethylindol-3-yl)-3-morpholin-4-ylpropan-2-ol is Cc1c(CC(O)CN2CCOCC2)c2ccc(F)cc2n1C.
What is the InChIKey of 1-(6-fluoro-1,2-dimethylindol-3-yl)-3-morpholin-4-ylpropan-2-ol?
The InChIKey is OWFPZQHLGFKUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-12-16(10-14(21)11-20-5-7-22-8-6-20)15-4-3-13(18)9-17(15)19(12)2/h3-4,9,14,21H,5-8,10-11H2,1-2H3.
What are the key properties of 1-(6-fluoro-1,2-dimethylindol-3-yl)-3-morpholin-4-ylpropan-2-ol?
1-(6-fluoro-1,2-dimethylindol-3-yl)-3-morpholin-4-ylpropan-2-ol has a molecular weight of 306.38 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1,2-dimethylindol-3-yl)-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 165159934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).