3,4,6-trimethyl-2-(piperazin-1-ylmethyl)-1H-indole

C16H23N3 — CID 84636758

IUPAC3,4,6-trimethyl-2-(piperazin-1-ylmethyl)-1H-indole
SMILESCc1cc(C)c2c(C)c(CN3CCNCC3)[nH]c2c1
InChIInChI=1S/C16H23N3/c1-11-8-12(2)16-13(3)15(18-14(16)9-11)10-19-6-4-17-5-7-19/h8-9,17-18H,4-7,10H2,1-3H3
InChIKeyDUAZDZHOEJKYQU-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.50
Rot. Bonds2

About 3,4,6-trimethyl-2-(piperazin-1-ylmethyl)-1H-indole

3,4,6-trimethyl-2-(piperazin-1-ylmethyl)-1H-indole (PubChem CID 84636758) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3,4,6-trimethyl-2-(piperazin-1-ylmethyl)-1H-indole.

Molecular Properties

Compound Name3,4,6-trimethyl-2-(piperazin-1-ylmethyl)-1H-indole
PubChem CID84636758
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3,4,6-trimethyl-2-(piperazin-1-ylmethyl)-1H-indole
SMILESCc1cc(C)c2c(C)c(CN3CCNCC3)[nH]c2c1
InChIInChI=1S/C16H23N3/c1-11-8-12(2)16-13(3)15(18-14(16)9-11)10-19-6-4-17-5-7-19/h8-9,17-18H,4-7,10H2,1-3H3
InChIKeyDUAZDZHOEJKYQU-UHFFFAOYSA-N
XLogP2.50
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-3-methyl-2-(piperazin-1-ylmethyl)-1H-indole
CID 84636727
2-(1,4-diazepan-1-ylmethyl)-4,6-dimethyl-1H-benzimidazole
CID 82946850
3,4,6-trimethyl-2-piperidin-4-yl-1H-indole
CID 84630546
1-[2-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 15391878
1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine
CID 117337037
1-[(3-fluoro-2,5-dimethylphenyl)methyl]piperazine
CID 84788709
2,3-dimethyl-5-(piperazin-1-ylmethyl)aniline
CID 82509242
2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)ethanol
CID 4274670
1-[(3-methyl-5-nitrophenyl)methyl]piperazine
CID 82510494
3,4,6-trimethyl-2-pyrrolidin-3-yl-1H-indole
CID 84625643
1-[(2-bromo-3,6-dimethylphenyl)methyl]piperazine
CID 84812650
1-[(2-ethyl-5-methylphenyl)methyl]piperazine
CID 117311481

Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethyl-2-(piperazin-1-ylmethyl)-1H-indole?
The IUPAC name of 3,4,6-trimethyl-2-(piperazin-1-ylmethyl)-1H-indole (CID 84636758) is 3,4,6-trimethyl-2-(piperazin-1-ylmethyl)-1H-indole.
What is the SMILES notation for 3,4,6-trimethyl-2-(piperazin-1-ylmethyl)-1H-indole?
The canonical SMILES for 3,4,6-trimethyl-2-(piperazin-1-ylmethyl)-1H-indole is Cc1cc(C)c2c(C)c(CN3CCNCC3)[nH]c2c1.
What is the InChIKey of 3,4,6-trimethyl-2-(piperazin-1-ylmethyl)-1H-indole?
The InChIKey is DUAZDZHOEJKYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11-8-12(2)16-13(3)15(18-14(16)9-11)10-19-6-4-17-5-7-19/h8-9,17-18H,4-7,10H2,1-3H3.
What are the key properties of 3,4,6-trimethyl-2-(piperazin-1-ylmethyl)-1H-indole?
3,4,6-trimethyl-2-(piperazin-1-ylmethyl)-1H-indole has a molecular weight of 257.38 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trimethyl-2-(piperazin-1-ylmethyl)-1H-indole is sourced from PubChem (CID 84636758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).