1-methyl-7-piperazin-1-yl-2,3-dihydroindole

C13H19N3 — CID 82614660

IUPAC1-methyl-7-piperazin-1-yl-2,3-dihydroindole
SMILESCN1CCc2cccc(N3CCNCC3)c21
InChIInChI=1S/C13H19N3/c1-15-8-5-11-3-2-4-12(13(11)15)16-9-6-14-7-10-16/h2-4,14H,5-10H2,1H3
InChIKeyYOJBMQGCJJFIEZ-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.09
Rot. Bonds1

About 1-methyl-7-piperazin-1-yl-2,3-dihydroindole

1-methyl-7-piperazin-1-yl-2,3-dihydroindole (PubChem CID 82614660) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1-methyl-7-piperazin-1-yl-2,3-dihydroindole.

Molecular Properties

Compound Name1-methyl-7-piperazin-1-yl-2,3-dihydroindole
PubChem CID82614660
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1-methyl-7-piperazin-1-yl-2,3-dihydroindole
SMILESCN1CCc2cccc(N3CCNCC3)c21
InChIInChI=1S/C13H19N3/c1-15-8-5-11-3-2-4-12(13(11)15)16-9-6-14-7-10-16/h2-4,14H,5-10H2,1H3
InChIKeyYOJBMQGCJJFIEZ-UHFFFAOYSA-N
XLogP1.09
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-piperazin-1-yl-2,3-dihydroindole?
The IUPAC name of 1-methyl-7-piperazin-1-yl-2,3-dihydroindole (CID 82614660) is 1-methyl-7-piperazin-1-yl-2,3-dihydroindole.
What is the SMILES notation for 1-methyl-7-piperazin-1-yl-2,3-dihydroindole?
The canonical SMILES for 1-methyl-7-piperazin-1-yl-2,3-dihydroindole is CN1CCc2cccc(N3CCNCC3)c21.
What is the InChIKey of 1-methyl-7-piperazin-1-yl-2,3-dihydroindole?
The InChIKey is YOJBMQGCJJFIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-15-8-5-11-3-2-4-12(13(11)15)16-9-6-14-7-10-16/h2-4,14H,5-10H2,1H3.
What are the key properties of 1-methyl-7-piperazin-1-yl-2,3-dihydroindole?
1-methyl-7-piperazin-1-yl-2,3-dihydroindole has a molecular weight of 217.32 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-piperazin-1-yl-2,3-dihydroindole is sourced from PubChem (CID 82614660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).