1-(5-fluoro-2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol

C18H26FN3O — CID 17028209

IUPAC1-(5-fluoro-2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCc1c(C)n(CC(O)CN2CCN(C)CC2)c2ccc(F)cc12
InChIInChI=1S/C18H26FN3O/c1-13-14(2)22(18-5-4-15(19)10-17(13)18)12-16(23)11-21-8-6-20(3)7-9-21/h4-5,10,16,23H,6-9,11-12H2,1-3H3
InChIKeyMOBWUOZALFAGOH-UHFFFAOYSA-N
MW319.42 g/mol
LogP2.01
Rot. Bonds4

About 1-(5-fluoro-2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol

1-(5-fluoro-2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol (PubChem CID 17028209) has the molecular formula C18H26FN3O and a molecular weight of 319.42 g/mol. Its IUPAC name is 1-(5-fluoro-2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5-fluoro-2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
PubChem CID17028209
Molecular FormulaC18H26FN3O
Molecular Weight319.42 g/mol
Exact Mass319.21
IUPAC Name1-(5-fluoro-2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCc1c(C)n(CC(O)CN2CCN(C)CC2)c2ccc(F)cc12
InChIInChI=1S/C18H26FN3O/c1-13-14(2)22(18-5-4-15(19)10-17(13)18)12-16(23)11-21-8-6-20(3)7-9-21/h4-5,10,16,23H,6-9,11-12H2,1-3H3
InChIKeyMOBWUOZALFAGOH-UHFFFAOYSA-N
XLogP2.01
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 52.01
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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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-(5-fluoro-2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol (CID 17028209) is 1-(5-fluoro-2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(5-fluoro-2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-(5-fluoro-2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol is Cc1c(C)n(CC(O)CN2CCN(C)CC2)c2ccc(F)cc12.
What is the InChIKey of 1-(5-fluoro-2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol?
The InChIKey is MOBWUOZALFAGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O/c1-13-14(2)22(18-5-4-15(19)10-17(13)18)12-16(23)11-21-8-6-20(3)7-9-21/h4-5,10,16,23H,6-9,11-12H2,1-3H3.
What are the key properties of 1-(5-fluoro-2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol?
1-(5-fluoro-2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol has a molecular weight of 319.42 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 17028209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).