1,7-dimethyl-3-(4-methylpiperazin-2-yl)indole

C15H21N3 — CID 82664533

IUPAC1,7-dimethyl-3-(4-methylpiperazin-2-yl)indole
SMILESCc1cccc2c(C3CN(C)CCN3)cn(C)c12
InChIInChI=1S/C15H21N3/c1-11-5-4-6-12-13(9-18(3)15(11)12)14-10-17(2)8-7-16-14/h4-6,9,14,16H,7-8,10H2,1-3H3
InChIKeyFQTKYJCHYQCZBJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.06
Rot. Bonds1

About 1,7-dimethyl-3-(4-methylpiperazin-2-yl)indole

1,7-dimethyl-3-(4-methylpiperazin-2-yl)indole (PubChem CID 82664533) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1,7-dimethyl-3-(4-methylpiperazin-2-yl)indole.

Molecular Properties

Compound Name1,7-dimethyl-3-(4-methylpiperazin-2-yl)indole
PubChem CID82664533
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1,7-dimethyl-3-(4-methylpiperazin-2-yl)indole
SMILESCc1cccc2c(C3CN(C)CCN3)cn(C)c12
InChIInChI=1S/C15H21N3/c1-11-5-4-6-12-13(9-18(3)15(11)12)14-10-17(2)8-7-16-14/h4-6,9,14,16H,7-8,10H2,1-3H3
InChIKeyFQTKYJCHYQCZBJ-UHFFFAOYSA-N
XLogP2.06
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-3-(4-methylpiperazin-2-yl)indole?
The IUPAC name of 1,7-dimethyl-3-(4-methylpiperazin-2-yl)indole (CID 82664533) is 1,7-dimethyl-3-(4-methylpiperazin-2-yl)indole.
What is the SMILES notation for 1,7-dimethyl-3-(4-methylpiperazin-2-yl)indole?
The canonical SMILES for 1,7-dimethyl-3-(4-methylpiperazin-2-yl)indole is Cc1cccc2c(C3CN(C)CCN3)cn(C)c12.
What is the InChIKey of 1,7-dimethyl-3-(4-methylpiperazin-2-yl)indole?
The InChIKey is FQTKYJCHYQCZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11-5-4-6-12-13(9-18(3)15(11)12)14-10-17(2)8-7-16-14/h4-6,9,14,16H,7-8,10H2,1-3H3.
What are the key properties of 1,7-dimethyl-3-(4-methylpiperazin-2-yl)indole?
1,7-dimethyl-3-(4-methylpiperazin-2-yl)indole has a molecular weight of 243.35 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-3-(4-methylpiperazin-2-yl)indole is sourced from PubChem (CID 82664533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).