2-(1-piperazin-1-ylethyl)-1H-indole

C14H19N3 — CID 116995173

IUPAC2-(1-piperazin-1-ylethyl)-1H-indole
SMILESCC(c1cc2ccccc2[nH]1)N1CCNCC1
InChIInChI=1S/C14H19N3/c1-11(17-8-6-15-7-9-17)14-10-12-4-2-3-5-13(12)16-14/h2-5,10-11,15-16H,6-9H2,1H3
InChIKeyCLYYFVXOMJFAIS-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.13
Rot. Bonds2

About 2-(1-piperazin-1-ylethyl)-1H-indole

2-(1-piperazin-1-ylethyl)-1H-indole (PubChem CID 116995173) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-(1-piperazin-1-ylethyl)-1H-indole.

Molecular Properties

Compound Name2-(1-piperazin-1-ylethyl)-1H-indole
PubChem CID116995173
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-(1-piperazin-1-ylethyl)-1H-indole
SMILESCC(c1cc2ccccc2[nH]1)N1CCNCC1
InChIInChI=1S/C14H19N3/c1-11(17-8-6-15-7-9-17)14-10-12-4-2-3-5-13(12)16-14/h2-5,10-11,15-16H,6-9H2,1H3
InChIKeyCLYYFVXOMJFAIS-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(1,4-diazepan-1-yl)ethyl]-1H-indole
CID 90917557
1-[(1R)-1-naphthalen-2-ylethyl]piperazine
CID 93464443
1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
CID 57383523
1-[1-(1H-pyrrol-2-yl)ethyl]piperazine;hydrochloride
CID 71637758
2-(2-piperazin-1-ylpropan-2-yl)-1H-indole
CID 116995174
1-(1-naphthalen-2-ylethyl)-1,4-diazepane
CID 61058086
1-(1H-indol-2-yl)-2-methylpropan-1-ol
CID 91442586
2-(1H-indol-2-yl)propanal
CID 88965178
2-(1-methylsulfonylethyl)-1H-indole
CID 173051925
3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171284996
1-[(1R)-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride
CID 171294389
2-(1-piperidin-1-ylprop-2-enyl)-1H-indole
CID 67660412

Frequently Asked Questions

What is the IUPAC name of 2-(1-piperazin-1-ylethyl)-1H-indole?
The IUPAC name of 2-(1-piperazin-1-ylethyl)-1H-indole (CID 116995173) is 2-(1-piperazin-1-ylethyl)-1H-indole.
What is the SMILES notation for 2-(1-piperazin-1-ylethyl)-1H-indole?
The canonical SMILES for 2-(1-piperazin-1-ylethyl)-1H-indole is CC(c1cc2ccccc2[nH]1)N1CCNCC1.
What is the InChIKey of 2-(1-piperazin-1-ylethyl)-1H-indole?
The InChIKey is CLYYFVXOMJFAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11(17-8-6-15-7-9-17)14-10-12-4-2-3-5-13(12)16-14/h2-5,10-11,15-16H,6-9H2,1H3.
What are the key properties of 2-(1-piperazin-1-ylethyl)-1H-indole?
2-(1-piperazin-1-ylethyl)-1H-indole has a molecular weight of 229.33 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-piperazin-1-ylethyl)-1H-indole is sourced from PubChem (CID 116995173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).