5-methyl-3-(piperazin-1-ylmethyl)-1H-indole

C14H19N3 — CID 82277559

IUPAC5-methyl-3-(piperazin-1-ylmethyl)-1H-indole
SMILESCc1ccc2[nH]cc(CN3CCNCC3)c2c1
InChIInChI=1S/C14H19N3/c1-11-2-3-14-13(8-11)12(9-16-14)10-17-6-4-15-5-7-17/h2-3,8-9,15-16H,4-7,10H2,1H3
InChIKeyYGQVYJVLNGDQCQ-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.88
Rot. Bonds2

About 5-methyl-3-(piperazin-1-ylmethyl)-1H-indole

5-methyl-3-(piperazin-1-ylmethyl)-1H-indole (PubChem CID 82277559) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 5-methyl-3-(piperazin-1-ylmethyl)-1H-indole.

Molecular Properties

Compound Name5-methyl-3-(piperazin-1-ylmethyl)-1H-indole
PubChem CID82277559
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name5-methyl-3-(piperazin-1-ylmethyl)-1H-indole
SMILESCc1ccc2[nH]cc(CN3CCNCC3)c2c1
InChIInChI=1S/C14H19N3/c1-11-2-3-14-13(8-11)12(9-16-14)10-17-6-4-15-5-7-17/h2-3,8-9,15-16H,4-7,10H2,1H3
InChIKeyYGQVYJVLNGDQCQ-UHFFFAOYSA-N
XLogP1.88
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,4-diazepan-1-ylmethyl)-5-methyl-1H-indole
CID 82497500
3-(piperazin-1-ylmethyl)-1H-indol-5-ol
CID 117174988
5-methyl-3-(piperidin-4-ylmethyl)-1H-indole
CID 82494836
1-[(2-ethyl-5-methylphenyl)methyl]piperazine
CID 117311481
3-[(5-fluoro-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole
CID 171676189
5-methyl-2-(piperazin-1-ylmethyl)phenol
CID 82610699
6-chloro-5-methoxy-3-(piperazin-1-ylmethyl)-1H-indole
CID 98035174
1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)indole
CID 117185174
7-[(5-methyl-1H-indol-3-yl)methyl]-2-(4-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931103
5-bromo-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277470
5-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole
CID 18965344
7-(1,4-diazepan-1-ylmethyl)-5H-[1,3]dioxolo[4,5-f]indole
CID 96679886

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(piperazin-1-ylmethyl)-1H-indole?
The IUPAC name of 5-methyl-3-(piperazin-1-ylmethyl)-1H-indole (CID 82277559) is 5-methyl-3-(piperazin-1-ylmethyl)-1H-indole.
What is the SMILES notation for 5-methyl-3-(piperazin-1-ylmethyl)-1H-indole?
The canonical SMILES for 5-methyl-3-(piperazin-1-ylmethyl)-1H-indole is Cc1ccc2[nH]cc(CN3CCNCC3)c2c1.
What is the InChIKey of 5-methyl-3-(piperazin-1-ylmethyl)-1H-indole?
The InChIKey is YGQVYJVLNGDQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-2-3-14-13(8-11)12(9-16-14)10-17-6-4-15-5-7-17/h2-3,8-9,15-16H,4-7,10H2,1H3.
What are the key properties of 5-methyl-3-(piperazin-1-ylmethyl)-1H-indole?
5-methyl-3-(piperazin-1-ylmethyl)-1H-indole has a molecular weight of 229.33 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(piperazin-1-ylmethyl)-1H-indole is sourced from PubChem (CID 82277559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).