1,5,7-trimethyl-3-(1-methylpiperazin-2-yl)indole

C16H23N3 — CID 84636743

IUPAC1,5,7-trimethyl-3-(1-methylpiperazin-2-yl)indole
SMILESCc1cc(C)c2c(c1)c(C1CNCCN1C)cn2C
InChIInChI=1S/C16H23N3/c1-11-7-12(2)16-13(8-11)14(10-19(16)4)15-9-17-5-6-18(15)3/h7-8,10,15,17H,5-6,9H2,1-4H3
InChIKeyGCDQZJDMHQOPLC-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.37
Rot. Bonds1

About 1,5,7-trimethyl-3-(1-methylpiperazin-2-yl)indole

1,5,7-trimethyl-3-(1-methylpiperazin-2-yl)indole (PubChem CID 84636743) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1,5,7-trimethyl-3-(1-methylpiperazin-2-yl)indole.

Molecular Properties

Compound Name1,5,7-trimethyl-3-(1-methylpiperazin-2-yl)indole
PubChem CID84636743
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1,5,7-trimethyl-3-(1-methylpiperazin-2-yl)indole
SMILESCc1cc(C)c2c(c1)c(C1CNCCN1C)cn2C
InChIInChI=1S/C16H23N3/c1-11-7-12(2)16-13(8-11)14(10-19(16)4)15-9-17-5-6-18(15)3/h7-8,10,15,17H,5-6,9H2,1-4H3
InChIKeyGCDQZJDMHQOPLC-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-1-methyl-3-(1-methylpiperazin-2-yl)indole
CID 82666808
1,5,7-trimethyl-3-(piperazin-2-ylmethyl)indole
CID 84636749
2-(4-methoxy-2,5-dimethylphenyl)-1-methylpiperazine
CID 82083204
1,7-dimethyl-3-[(1-methylpiperazin-2-yl)methyl]indole
CID 84636732
(2S)-2-(2-fluorophenyl)-1-methylpiperazine
CID 28804930
(2R)-1-methyl-2-pyridin-4-ylpiperazine
CID 28804916
1-methyl-2-(3-methylthiophen-2-yl)piperazine
CID 116963174
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1-methylpiperazine
CID 82305382
3-methoxy-5-methyl-7-(1-methylpiperazin-2-yl)pyrrolo[2,3-b]pyrazine
CID 82666157
3-ethyl-1,5,7-trimethylindole
CID 165358594
1-ethyl-5,7-dimethyl-3-(2-piperazin-1-ylethyl)indole
CID 83948952
3-methyl-6-(1-methylpiperazin-2-yl)quinoline
CID 116997812

Frequently Asked Questions

What is the IUPAC name of 1,5,7-trimethyl-3-(1-methylpiperazin-2-yl)indole?
The IUPAC name of 1,5,7-trimethyl-3-(1-methylpiperazin-2-yl)indole (CID 84636743) is 1,5,7-trimethyl-3-(1-methylpiperazin-2-yl)indole.
What is the SMILES notation for 1,5,7-trimethyl-3-(1-methylpiperazin-2-yl)indole?
The canonical SMILES for 1,5,7-trimethyl-3-(1-methylpiperazin-2-yl)indole is Cc1cc(C)c2c(c1)c(C1CNCCN1C)cn2C.
What is the InChIKey of 1,5,7-trimethyl-3-(1-methylpiperazin-2-yl)indole?
The InChIKey is GCDQZJDMHQOPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11-7-12(2)16-13(8-11)14(10-19(16)4)15-9-17-5-6-18(15)3/h7-8,10,15,17H,5-6,9H2,1-4H3.
What are the key properties of 1,5,7-trimethyl-3-(1-methylpiperazin-2-yl)indole?
1,5,7-trimethyl-3-(1-methylpiperazin-2-yl)indole has a molecular weight of 257.38 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,7-trimethyl-3-(1-methylpiperazin-2-yl)indole is sourced from PubChem (CID 84636743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).