1-methyl-3-(piperazin-2-ylmethyl)indole

C14H19N3 — CID 84625891

IUPAC1-methyl-3-(piperazin-2-ylmethyl)indole
SMILESCn1cc(CC2CNCCN2)c2ccccc21
InChIInChI=1S/C14H19N3/c1-17-10-11(8-12-9-15-6-7-16-12)13-4-2-3-5-14(13)17/h2-5,10,12,15-16H,6-9H2,1H3
InChIKeyDXEWHTKWHLNGNJ-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.28
Rot. Bonds2

About 1-methyl-3-(piperazin-2-ylmethyl)indole

1-methyl-3-(piperazin-2-ylmethyl)indole (PubChem CID 84625891) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-methyl-3-(piperazin-2-ylmethyl)indole.

Molecular Properties

Compound Name1-methyl-3-(piperazin-2-ylmethyl)indole
PubChem CID84625891
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-methyl-3-(piperazin-2-ylmethyl)indole
SMILESCn1cc(CC2CNCCN2)c2ccccc21
InChIInChI=1S/C14H19N3/c1-17-10-11(8-12-9-15-6-7-16-12)13-4-2-3-5-14(13)17/h2-5,10,12,15-16H,6-9H2,1H3
InChIKeyDXEWHTKWHLNGNJ-UHFFFAOYSA-N
XLogP1.28
TPSA28.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-1-methyl-3-(piperazin-2-ylmethyl)indole
CID 84637870
3-[(1-methylindol-3-yl)methyl]piperidin-4-one
CID 83488034
1-methyl-3-[(1-methylimidazolidin-4-yl)methyl]indole
CID 141427495
1-methyl-3-[2-(1-methylpiperazin-2-yl)ethyl]indole
CID 116928367
1,5,7-trimethyl-3-(piperazin-2-ylmethyl)indole
CID 84636749
3-[[(2S)-piperazin-2-yl]methyl]-1H-indole
CID 59208274
N-[(1-methylindol-3-yl)methyl]-1-piperidin-2-ylmethanamine
CID 115209330
3-(piperazin-2-ylmethyl)-1H-indole;dihydrochloride
CID 140992063
2-(1,4,7,10,13-pentazacyclopentadec-2-ylmethyl)phenol
CID 21338454
N-methyl-N-[(1-methylindol-3-yl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 106602546
9-benzyl-3-(piperazin-2-ylmethyl)carbazole
CID 175400244
3-(2-bromoethyl)-1-methylindole
CID 13153306

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(piperazin-2-ylmethyl)indole?
The IUPAC name of 1-methyl-3-(piperazin-2-ylmethyl)indole (CID 84625891) is 1-methyl-3-(piperazin-2-ylmethyl)indole.
What is the SMILES notation for 1-methyl-3-(piperazin-2-ylmethyl)indole?
The canonical SMILES for 1-methyl-3-(piperazin-2-ylmethyl)indole is Cn1cc(CC2CNCCN2)c2ccccc21.
What is the InChIKey of 1-methyl-3-(piperazin-2-ylmethyl)indole?
The InChIKey is DXEWHTKWHLNGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-17-10-11(8-12-9-15-6-7-16-12)13-4-2-3-5-14(13)17/h2-5,10,12,15-16H,6-9H2,1H3.
What are the key properties of 1-methyl-3-(piperazin-2-ylmethyl)indole?
1-methyl-3-(piperazin-2-ylmethyl)indole has a molecular weight of 229.33 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(piperazin-2-ylmethyl)indole is sourced from PubChem (CID 84625891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).