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

C16H23N3 — CID 116996532

IUPAC3-methyl-5-(3-piperazin-1-ylpropyl)-1H-indole
SMILESCc1c[nH]c2ccc(CCCN3CCNCC3)cc12
InChIInChI=1S/C16H23N3/c1-13-12-18-16-5-4-14(11-15(13)16)3-2-8-19-9-6-17-7-10-19/h4-5,11-12,17-18H,2-3,6-10H2,1H3
InChIKeyWJZBTNIEVDLIAB-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.31
Rot. Bonds4

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

3-methyl-5-(3-piperazin-1-ylpropyl)-1H-indole (PubChem CID 116996532) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-methyl-5-(3-piperazin-1-ylpropyl)-1H-indole.

Molecular Properties

Compound Name3-methyl-5-(3-piperazin-1-ylpropyl)-1H-indole
PubChem CID116996532
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-methyl-5-(3-piperazin-1-ylpropyl)-1H-indole
SMILESCc1c[nH]c2ccc(CCCN3CCNCC3)cc12
InChIInChI=1S/C16H23N3/c1-13-12-18-16-5-4-14(11-15(13)16)3-2-8-19-9-6-17-7-10-19/h4-5,11-12,17-18H,2-3,6-10H2,1H3
InChIKeyWJZBTNIEVDLIAB-UHFFFAOYSA-N
XLogP2.31
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3-bromo-4-methylphenyl)propyl]piperazine
CID 82308190
1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 82116765
4-(3-methyl-1H-indol-5-yl)butan-1-amine
CID 117291124
5-tert-butyl-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 82277483
3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid
CID 83947210
1-methyl-5-(3-piperazin-1-ylpropyl)-2,3-dihydroindole
CID 116997078
5-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole-6-carboxylic acid
CID 83947109
1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine
CID 82264462
6-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole
CID 115105431
5-bromo-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277470
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
6-fluoro-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 82277487

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-piperazin-1-ylpropyl)-1H-indole?
The IUPAC name of 3-methyl-5-(3-piperazin-1-ylpropyl)-1H-indole (CID 116996532) is 3-methyl-5-(3-piperazin-1-ylpropyl)-1H-indole.
What is the SMILES notation for 3-methyl-5-(3-piperazin-1-ylpropyl)-1H-indole?
The canonical SMILES for 3-methyl-5-(3-piperazin-1-ylpropyl)-1H-indole is Cc1c[nH]c2ccc(CCCN3CCNCC3)cc12.
What is the InChIKey of 3-methyl-5-(3-piperazin-1-ylpropyl)-1H-indole?
The InChIKey is WJZBTNIEVDLIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-13-12-18-16-5-4-14(11-15(13)16)3-2-8-19-9-6-17-7-10-19/h4-5,11-12,17-18H,2-3,6-10H2,1H3.
What are the key properties of 3-methyl-5-(3-piperazin-1-ylpropyl)-1H-indole?
3-methyl-5-(3-piperazin-1-ylpropyl)-1H-indole has a molecular weight of 257.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-piperazin-1-ylpropyl)-1H-indole is sourced from PubChem (CID 116996532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).