3-(3-methylpiperazin-2-yl)-1H-indole

C13H17N3 — CID 116829242

IUPAC3-(3-methylpiperazin-2-yl)-1H-indole
SMILESCC1NCCNC1c1c[nH]c2ccccc12
InChIInChI=1S/C13H17N3/c1-9-13(15-7-6-14-9)11-8-16-12-5-3-2-4-10(11)12/h2-5,8-9,13-16H,6-7H2,1H3
InChIKeyTWLHIXBNKSAYCO-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.79
Rot. Bonds1

About 3-(3-methylpiperazin-2-yl)-1H-indole

3-(3-methylpiperazin-2-yl)-1H-indole (PubChem CID 116829242) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(3-methylpiperazin-2-yl)-1H-indole.

Molecular Properties

Compound Name3-(3-methylpiperazin-2-yl)-1H-indole
PubChem CID116829242
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-(3-methylpiperazin-2-yl)-1H-indole
SMILESCC1NCCNC1c1c[nH]c2ccccc12
InChIInChI=1S/C13H17N3/c1-9-13(15-7-6-14-9)11-8-16-12-5-3-2-4-10(11)12/h2-5,8-9,13-16H,6-7H2,1H3
InChIKeyTWLHIXBNKSAYCO-UHFFFAOYSA-N
XLogP1.79
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-piperidin-4-yl-1H-indole
CID 91036207
methane;3-piperidin-4-yl-1H-indole
CID 70444570
2-(1H-indol-3-yl)-1,3-thiazolidine
CID 3043139
(1S)-1-(1H-indol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 905885
2-[3-(1H-indol-3-yl)pyrrolidin-2-yl]ethanamine
CID 82618895
2-(1H-indol-3-yl)-5-methylcyclohexane-1-carbaldehyde
CID 174583478
(5S,6S)-5-(1H-indol-3-yl)-6-methyloxan-2-one
CID 10376523
2-(1H-indol-3-yl)-4-methoxy-3-methyl-1,2,3,4-tetrahydroquinoline
CID 59936471
4-ethyl-2-(1H-indol-3-yl)cyclohexan-1-amine
CID 112742433
3-(1H-indol-3-yl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110540148
3-ethyl-4-(1H-indol-3-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 83672707
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpiperazin-2-yl)-1H-indole?
The IUPAC name of 3-(3-methylpiperazin-2-yl)-1H-indole (CID 116829242) is 3-(3-methylpiperazin-2-yl)-1H-indole.
What is the SMILES notation for 3-(3-methylpiperazin-2-yl)-1H-indole?
The canonical SMILES for 3-(3-methylpiperazin-2-yl)-1H-indole is CC1NCCNC1c1c[nH]c2ccccc12.
What is the InChIKey of 3-(3-methylpiperazin-2-yl)-1H-indole?
The InChIKey is TWLHIXBNKSAYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9-13(15-7-6-14-9)11-8-16-12-5-3-2-4-10(11)12/h2-5,8-9,13-16H,6-7H2,1H3.
What are the key properties of 3-(3-methylpiperazin-2-yl)-1H-indole?
3-(3-methylpiperazin-2-yl)-1H-indole has a molecular weight of 215.30 g/mol, XLogP of 1.79, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpiperazin-2-yl)-1H-indole is sourced from PubChem (CID 116829242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).