2-(2-piperazin-1-ylpropan-2-yl)-1H-indole

C15H21N3 — CID 116995174

IUPAC2-(2-piperazin-1-ylpropan-2-yl)-1H-indole
SMILESCC(C)(c1cc2ccccc2[nH]1)N1CCNCC1
InChIInChI=1S/C15H21N3/c1-15(2,18-9-7-16-8-10-18)14-11-12-5-3-4-6-13(12)17-14/h3-6,11,16-17H,7-10H2,1-2H3
InChIKeyQOMMADNOHMVJNA-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.31
Rot. Bonds2

About 2-(2-piperazin-1-ylpropan-2-yl)-1H-indole

2-(2-piperazin-1-ylpropan-2-yl)-1H-indole (PubChem CID 116995174) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(2-piperazin-1-ylpropan-2-yl)-1H-indole.

Molecular Properties

Compound Name2-(2-piperazin-1-ylpropan-2-yl)-1H-indole
PubChem CID116995174
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-(2-piperazin-1-ylpropan-2-yl)-1H-indole
SMILESCC(C)(c1cc2ccccc2[nH]1)N1CCNCC1
InChIInChI=1S/C15H21N3/c1-15(2,18-9-7-16-8-10-18)14-11-12-5-3-4-6-13(12)17-14/h3-6,11,16-17H,7-10H2,1-2H3
InChIKeyQOMMADNOHMVJNA-UHFFFAOYSA-N
XLogP2.31
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methyl-2-piperazin-1-ylpropyl)-1H-indole
CID 116995172
2-(1-piperazin-1-ylethyl)-1H-indole
CID 116995173
3-(2-piperazin-1-ylpropan-2-yl)-1H-indole
CID 82293905
1-[2-(3,5-difluorophenyl)propan-2-yl]piperazine
CID 82292772
2-[1-(1,4-diazepan-1-yl)ethyl]-1H-indole
CID 90917557
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
2-(1H-indol-2-yl)-2-methylpentanedioic acid
CID 142115470
1-(2-phenylsulfanylpropan-2-yl)piperazine
CID 117035776
1-(1-chloro-1-phenylethyl)piperazine;hydrochloride
CID 70587857
2,2-difluoro-2-(1H-indol-2-yl)acetic acid
CID 84723265
1-tritylpiperazine
CID 11472931
1H-indol-2-yl-bis(4-methoxyphenyl)methanol
CID 172743573

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperazin-1-ylpropan-2-yl)-1H-indole?
The IUPAC name of 2-(2-piperazin-1-ylpropan-2-yl)-1H-indole (CID 116995174) is 2-(2-piperazin-1-ylpropan-2-yl)-1H-indole.
What is the SMILES notation for 2-(2-piperazin-1-ylpropan-2-yl)-1H-indole?
The canonical SMILES for 2-(2-piperazin-1-ylpropan-2-yl)-1H-indole is CC(C)(c1cc2ccccc2[nH]1)N1CCNCC1.
What is the InChIKey of 2-(2-piperazin-1-ylpropan-2-yl)-1H-indole?
The InChIKey is QOMMADNOHMVJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-15(2,18-9-7-16-8-10-18)14-11-12-5-3-4-6-13(12)17-14/h3-6,11,16-17H,7-10H2,1-2H3.
What are the key properties of 2-(2-piperazin-1-ylpropan-2-yl)-1H-indole?
2-(2-piperazin-1-ylpropan-2-yl)-1H-indole has a molecular weight of 243.35 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperazin-1-ylpropan-2-yl)-1H-indole is sourced from PubChem (CID 116995174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).