6-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylindole

C16H23N3 — CID 118913085

IUPAC6-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylindole
SMILESCc1cn(C)c2cc(N3CC(C)NC(C)C3)ccc12
InChIInChI=1S/C16H23N3/c1-11-8-18(4)16-7-14(5-6-15(11)16)19-9-12(2)17-13(3)10-19/h5-8,12-13,17H,9-10H2,1-4H3
InChIKeyLPAQLDKXXSTIRZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.67
Rot. Bonds1

About 6-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylindole

6-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylindole (PubChem CID 118913085) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 6-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylindole.

Molecular Properties

Compound Name6-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylindole
PubChem CID118913085
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name6-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylindole
SMILESCc1cn(C)c2cc(N3CC(C)NC(C)C3)ccc12
InChIInChI=1S/C16H23N3/c1-11-8-18(4)16-7-14(5-6-15(11)16)19-9-12(2)17-13(3)10-19/h5-8,12-13,17H,9-10H2,1-4H3
InChIKeyLPAQLDKXXSTIRZ-UHFFFAOYSA-N
XLogP2.67
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylindole?
The IUPAC name of 6-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylindole (CID 118913085) is 6-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylindole.
What is the SMILES notation for 6-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylindole?
The canonical SMILES for 6-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylindole is Cc1cn(C)c2cc(N3CC(C)NC(C)C3)ccc12.
What is the InChIKey of 6-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylindole?
The InChIKey is LPAQLDKXXSTIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11-8-18(4)16-7-14(5-6-15(11)16)19-9-12(2)17-13(3)10-19/h5-8,12-13,17H,9-10H2,1-4H3.
What are the key properties of 6-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylindole?
6-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylindole has a molecular weight of 257.38 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylindole is sourced from PubChem (CID 118913085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).