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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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).