2-[(4-methylpiperazin-1-yl)methyl]-1H-indole

C14H19N3 — CID 4242418

IUPAC2-[(4-methylpiperazin-1-yl)methyl]-1H-indole
SMILESCN1CCN(Cc2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C14H19N3/c1-16-6-8-17(9-7-16)11-13-10-12-4-2-3-5-14(12)15-13/h2-5,10,15H,6-9,11H2,1H3
InChIKeyWWRGCQNENSFLMG-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.92
Rot. Bonds2

About 2-[(4-methylpiperazin-1-yl)methyl]-1H-indole

2-[(4-methylpiperazin-1-yl)methyl]-1H-indole (PubChem CID 4242418) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-[(4-methylpiperazin-1-yl)methyl]-1H-indole.

Molecular Properties

Compound Name2-[(4-methylpiperazin-1-yl)methyl]-1H-indole
PubChem CID4242418
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-[(4-methylpiperazin-1-yl)methyl]-1H-indole
SMILESCN1CCN(Cc2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C14H19N3/c1-16-6-8-17(9-7-16)11-13-10-12-4-2-3-5-14(12)15-13/h2-5,10,15H,6-9,11H2,1H3
InChIKeyWWRGCQNENSFLMG-UHFFFAOYSA-N
XLogP1.92
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-1H-indole?
The IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-1H-indole (CID 4242418) is 2-[(4-methylpiperazin-1-yl)methyl]-1H-indole.
What is the SMILES notation for 2-[(4-methylpiperazin-1-yl)methyl]-1H-indole?
The canonical SMILES for 2-[(4-methylpiperazin-1-yl)methyl]-1H-indole is CN1CCN(Cc2cc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-[(4-methylpiperazin-1-yl)methyl]-1H-indole?
The InChIKey is WWRGCQNENSFLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-16-6-8-17(9-7-16)11-13-10-12-4-2-3-5-14(12)15-13/h2-5,10,15H,6-9,11H2,1H3.
What are the key properties of 2-[(4-methylpiperazin-1-yl)methyl]-1H-indole?
2-[(4-methylpiperazin-1-yl)methyl]-1H-indole has a molecular weight of 229.33 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperazin-1-yl)methyl]-1H-indole is sourced from PubChem (CID 4242418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).