1-methyl-2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-2,3-dihydroindole

C15H20F3N3 — CID 117200637

IUPAC1-methyl-2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-2,3-dihydroindole
SMILESCN1c2ccc(C(F)(F)F)cc2CC1CN1CCNCC1
InChIInChI=1S/C15H20F3N3/c1-20-13(10-21-6-4-19-5-7-21)9-11-8-12(15(16,17)18)2-3-14(11)20/h2-3,8,13,19H,4-7,9-10H2,1H3
InChIKeyFDUGUYQZAIXPPA-UHFFFAOYSA-N
MW299.34 g/mol
LogP1.97
Rot. Bonds2

About 1-methyl-2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-2,3-dihydroindole

1-methyl-2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-2,3-dihydroindole (PubChem CID 117200637) has the molecular formula C15H20F3N3 and a molecular weight of 299.34 g/mol. Its IUPAC name is 1-methyl-2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-methyl-2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-2,3-dihydroindole
PubChem CID117200637
Molecular FormulaC15H20F3N3
Molecular Weight299.34 g/mol
Exact Mass299.16
IUPAC Name1-methyl-2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-2,3-dihydroindole
SMILESCN1c2ccc(C(F)(F)F)cc2CC1CN1CCNCC1
InChIInChI=1S/C15H20F3N3/c1-20-13(10-21-6-4-19-5-7-21)9-11-8-12(15(16,17)18)2-3-14(11)20/h2-3,8,13,19H,4-7,9-10H2,1H3
InChIKeyFDUGUYQZAIXPPA-UHFFFAOYSA-N
XLogP1.97
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-2,3-dihydroindole?
The IUPAC name of 1-methyl-2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-2,3-dihydroindole (CID 117200637) is 1-methyl-2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-2,3-dihydroindole.
What is the SMILES notation for 1-methyl-2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-2,3-dihydroindole?
The canonical SMILES for 1-methyl-2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-2,3-dihydroindole is CN1c2ccc(C(F)(F)F)cc2CC1CN1CCNCC1.
What is the InChIKey of 1-methyl-2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-2,3-dihydroindole?
The InChIKey is FDUGUYQZAIXPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3/c1-20-13(10-21-6-4-19-5-7-21)9-11-8-12(15(16,17)18)2-3-14(11)20/h2-3,8,13,19H,4-7,9-10H2,1H3.
What are the key properties of 1-methyl-2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-2,3-dihydroindole?
1-methyl-2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-2,3-dihydroindole has a molecular weight of 299.34 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-2,3-dihydroindole is sourced from PubChem (CID 117200637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).