4-methyl-1-(piperazin-1-ylmethyl)indole

C14H19N3 — CID 68552361

IUPAC4-methyl-1-(piperazin-1-ylmethyl)indole
SMILESCc1cccc2c1ccn2CN1CCNCC1
InChIInChI=1S/C14H19N3/c1-12-3-2-4-14-13(12)5-8-17(14)11-16-9-6-15-7-10-16/h2-5,8,15H,6-7,9-11H2,1H3
InChIKeyHCMPMDYHTLAACG-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.81
Rot. Bonds2

About 4-methyl-1-(piperazin-1-ylmethyl)indole

4-methyl-1-(piperazin-1-ylmethyl)indole (PubChem CID 68552361) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-methyl-1-(piperazin-1-ylmethyl)indole.

Molecular Properties

Compound Name4-methyl-1-(piperazin-1-ylmethyl)indole
PubChem CID68552361
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-methyl-1-(piperazin-1-ylmethyl)indole
SMILESCc1cccc2c1ccn2CN1CCNCC1
InChIInChI=1S/C14H19N3/c1-12-3-2-4-14-13(12)5-8-17(14)11-16-9-6-15-7-10-16/h2-5,8,15H,6-7,9-11H2,1H3
InChIKeyHCMPMDYHTLAACG-UHFFFAOYSA-N
XLogP1.81
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-1-(piperazin-1-ylmethyl)indole
CID 67661726
4-methyl-1-(2-piperidin-4-ylethyl)indole
CID 61348096
4-[3-(4-methylindol-1-yl)propyl]morpholine
CID 58748400
1-(2-cyclopentylethyl)-4-methylindole
CID 114192720
4-(4-methylindol-1-yl)butan-1-amine
CID 43163516
4-methyl-1-(pyrimidin-2-ylmethyl)indole
CID 116620137
1-(3-methoxypropyl)-4-methylindole
CID 116620203
1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylindole
CID 116620406
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylindole
CID 116620411
N-ethyl-3-(4-methylindol-1-yl)propan-1-amine
CID 62562010
1-[(2-bromo-3-methylphenyl)methyl]piperazine
CID 83742586
2-methyl-N-[2-(4-methylindol-1-yl)ethyl]propan-1-amine
CID 62563400

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(piperazin-1-ylmethyl)indole?
The IUPAC name of 4-methyl-1-(piperazin-1-ylmethyl)indole (CID 68552361) is 4-methyl-1-(piperazin-1-ylmethyl)indole.
What is the SMILES notation for 4-methyl-1-(piperazin-1-ylmethyl)indole?
The canonical SMILES for 4-methyl-1-(piperazin-1-ylmethyl)indole is Cc1cccc2c1ccn2CN1CCNCC1.
What is the InChIKey of 4-methyl-1-(piperazin-1-ylmethyl)indole?
The InChIKey is HCMPMDYHTLAACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-12-3-2-4-14-13(12)5-8-17(14)11-16-9-6-15-7-10-16/h2-5,8,15H,6-7,9-11H2,1H3.
What are the key properties of 4-methyl-1-(piperazin-1-ylmethyl)indole?
4-methyl-1-(piperazin-1-ylmethyl)indole has a molecular weight of 229.33 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(piperazin-1-ylmethyl)indole is sourced from PubChem (CID 68552361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).