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

C12H17N3 — CID 22038430

IUPAC1-piperazin-1-yl-2,3-dihydroindole
SMILESc1ccc2c(c1)CCN2N1CCNCC1
InChIInChI=1S/C12H17N3/c1-2-4-12-11(3-1)5-8-15(12)14-9-6-13-7-10-14/h1-4,13H,5-10H2
InChIKeyXOLJKFCXLSLEOZ-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.87
Rot. Bonds1

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

1-piperazin-1-yl-2,3-dihydroindole (PubChem CID 22038430) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-piperazin-1-yl-2,3-dihydroindole.

Molecular Properties

Compound Name1-piperazin-1-yl-2,3-dihydroindole
PubChem CID22038430
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name1-piperazin-1-yl-2,3-dihydroindole
SMILESc1ccc2c(c1)CCN2N1CCNCC1
InChIInChI=1S/C12H17N3/c1-2-4-12-11(3-1)5-8-15(12)14-9-6-13-7-10-14/h1-4,13H,5-10H2
InChIKeyXOLJKFCXLSLEOZ-UHFFFAOYSA-N
XLogP0.87
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-piperazin-1-ylethyl)-2,3-dihydroindole
CID 28704454
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
4-(2-methylphenyl)-1,4-diazepan-5-one
CID 45096923
1-methyl-7-piperazin-1-yl-2,3-dihydroindole
CID 82614660
1-piperazin-1-ylindole-2,3-dione
CID 22714251
2,3-dihydroindol-1-ylsilane
CID 149251229
4-(2,3-dihydroindol-1-ylmethyl)piperidin-4-amine
CID 84736264
1-(1-piperidin-4-ylethyl)-2,3-dihydroindole
CID 105488726
1,2,3,4,5,6,7,8-octahydro-3,6-benzodiazecine
CID 156519075
azane;2,3,4,5-tetrahydro-1H-3-benzazepine
CID 135204749
4-(2,3-dihydroindol-1-yl)-1-piperazin-1-ylbutan-1-one
CID 39284028
1-pyrrolidin-3-yl-2,3-dihydroindole;dihydrochloride
CID 53407976

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2,3-dihydroindole?
The IUPAC name of 1-piperazin-1-yl-2,3-dihydroindole (CID 22038430) is 1-piperazin-1-yl-2,3-dihydroindole.
What is the SMILES notation for 1-piperazin-1-yl-2,3-dihydroindole?
The canonical SMILES for 1-piperazin-1-yl-2,3-dihydroindole is c1ccc2c(c1)CCN2N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-2,3-dihydroindole?
The InChIKey is XOLJKFCXLSLEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-2-4-12-11(3-1)5-8-15(12)14-9-6-13-7-10-14/h1-4,13H,5-10H2.
What are the key properties of 1-piperazin-1-yl-2,3-dihydroindole?
1-piperazin-1-yl-2,3-dihydroindole has a molecular weight of 203.29 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2,3-dihydroindole is sourced from PubChem (CID 22038430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).