2-(2-methyl-2-piperazin-1-ylpropyl)-1H-indole

C16H23N3 — CID 116995172

IUPAC2-(2-methyl-2-piperazin-1-ylpropyl)-1H-indole
SMILESCC(C)(Cc1cc2ccccc2[nH]1)N1CCNCC1
InChIInChI=1S/C16H23N3/c1-16(2,19-9-7-17-8-10-19)12-14-11-13-5-3-4-6-15(13)18-14/h3-6,11,17-18H,7-10,12H2,1-2H3
InChIKeyXWCVJQPYHLEWGU-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.39
Rot. Bonds3

About 2-(2-methyl-2-piperazin-1-ylpropyl)-1H-indole

2-(2-methyl-2-piperazin-1-ylpropyl)-1H-indole (PubChem CID 116995172) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(2-methyl-2-piperazin-1-ylpropyl)-1H-indole.

Molecular Properties

Compound Name2-(2-methyl-2-piperazin-1-ylpropyl)-1H-indole
PubChem CID116995172
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-(2-methyl-2-piperazin-1-ylpropyl)-1H-indole
SMILESCC(C)(Cc1cc2ccccc2[nH]1)N1CCNCC1
InChIInChI=1S/C16H23N3/c1-16(2,19-9-7-17-8-10-19)12-14-11-13-5-3-4-6-15(13)18-14/h3-6,11,17-18H,7-10,12H2,1-2H3
InChIKeyXWCVJQPYHLEWGU-UHFFFAOYSA-N
XLogP2.39
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-piperazin-1-ylpropan-2-yl)-1H-indole
CID 116995174
2-pentyl-1H-indole;piperazine-1-carboxamide
CID 174799325
4-(1H-indol-2-yl)-2-methylbutan-2-amine
CID 116995131
formamide;2-pentyl-1H-indole;piperazine
CID 174799337
2-(2,3,3-trimethylbutyl)-1H-indole
CID 23522829
2-(1-piperazin-1-ylethyl)-1H-indole
CID 116995173
2-heptyl-1H-indole
CID 3719004
2-hexyl-1H-indole
CID 14299246
1-[1-(2,5-difluorophenyl)-2-methylpropan-2-yl]piperazine
CID 82298840
1-[2-methyl-4-(1H-pyrrol-2-yl)butan-2-yl]piperazine
CID 116931984
2-(2-ethyl-2,7-dimethylnonyl)-1H-indole
CID 173251824
2-[1-(1,4-diazepan-1-yl)ethyl]-1H-indole
CID 90917557

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2-piperazin-1-ylpropyl)-1H-indole?
The IUPAC name of 2-(2-methyl-2-piperazin-1-ylpropyl)-1H-indole (CID 116995172) is 2-(2-methyl-2-piperazin-1-ylpropyl)-1H-indole.
What is the SMILES notation for 2-(2-methyl-2-piperazin-1-ylpropyl)-1H-indole?
The canonical SMILES for 2-(2-methyl-2-piperazin-1-ylpropyl)-1H-indole is CC(C)(Cc1cc2ccccc2[nH]1)N1CCNCC1.
What is the InChIKey of 2-(2-methyl-2-piperazin-1-ylpropyl)-1H-indole?
The InChIKey is XWCVJQPYHLEWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-16(2,19-9-7-17-8-10-19)12-14-11-13-5-3-4-6-15(13)18-14/h3-6,11,17-18H,7-10,12H2,1-2H3.
What are the key properties of 2-(2-methyl-2-piperazin-1-ylpropyl)-1H-indole?
2-(2-methyl-2-piperazin-1-ylpropyl)-1H-indole has a molecular weight of 257.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2-piperazin-1-ylpropyl)-1H-indole is sourced from PubChem (CID 116995172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).