2-[2-(3H-pyrrol-5-yl)ethyl]piperazine

C10H17N3 — CID 20641669

IUPAC2-[2-(3H-pyrrol-5-yl)ethyl]piperazine
SMILESC1=NC(CCC2CNCCN2)=CC1
InChIInChI=1S/C10H17N3/c1-2-9(12-5-1)3-4-10-8-11-6-7-13-10/h2,5,10-11,13H,1,3-4,6-8H2
InChIKeyOQMHFTMZWIUKDE-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.69
Rot. Bonds3

About 2-[2-(3H-pyrrol-5-yl)ethyl]piperazine

2-[2-(3H-pyrrol-5-yl)ethyl]piperazine (PubChem CID 20641669) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-[2-(3H-pyrrol-5-yl)ethyl]piperazine.

Molecular Properties

Compound Name2-[2-(3H-pyrrol-5-yl)ethyl]piperazine
PubChem CID20641669
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-[2-(3H-pyrrol-5-yl)ethyl]piperazine
SMILESC1=NC(CCC2CNCCN2)=CC1
InChIInChI=1S/C10H17N3/c1-2-9(12-5-1)3-4-10-8-11-6-7-13-10/h2,5,10-11,13H,1,3-4,6-8H2
InChIKeyOQMHFTMZWIUKDE-UHFFFAOYSA-N
XLogP0.69
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclohexen-1-ylimino)ethyl]cyclohexanamine
CID 54273635
4-(3H-pyrrol-5-ylmethyl)piperidine
CID 54520917
ethane;2-[2-(3H-pyrrol-5-yl)ethyl]piperazine
CID 90763652
N-propan-2-yl-3-(3H-pyrrol-5-yl)propan-1-amine
CID 117754027
N-propan-2-yl-4-(3H-pyrrol-5-yl)butan-1-amine
CID 117754028
(E)-N-[(Z)-but-2-en-2-yl]-3-piperazin-1-ylpent-3-en-1-imine
CID 134406002
6-(methylaminomethyl)-N-(1-prop-1-en-2-ylpiperidin-4-yl)-3,4-dihydropyridin-5-amine
CID 137506839
N-(1-prop-1-en-2-yliminobutan-2-yl)cyclohex-3-en-1-amine
CID 138549377
(6Z)-6-piperidin-2-ylidenehexan-1-imine;hydroiodide
CID 140972582
1-(3,4-Dihydropyridin-6-ylmethyl)piperazine
CID 142252975
6-Piperidin-4-yl-3,4-dihydropyridine
CID 142892723
2-(1,2,3,4-Tetrahydropyridin-6-yl)-2,3,4,5-tetrahydropyridine
CID 144329213

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3H-pyrrol-5-yl)ethyl]piperazine?
The IUPAC name of 2-[2-(3H-pyrrol-5-yl)ethyl]piperazine (CID 20641669) is 2-[2-(3H-pyrrol-5-yl)ethyl]piperazine.
What is the SMILES notation for 2-[2-(3H-pyrrol-5-yl)ethyl]piperazine?
The canonical SMILES for 2-[2-(3H-pyrrol-5-yl)ethyl]piperazine is C1=NC(CCC2CNCCN2)=CC1.
What is the InChIKey of 2-[2-(3H-pyrrol-5-yl)ethyl]piperazine?
The InChIKey is OQMHFTMZWIUKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-9(12-5-1)3-4-10-8-11-6-7-13-10/h2,5,10-11,13H,1,3-4,6-8H2.
What are the key properties of 2-[2-(3H-pyrrol-5-yl)ethyl]piperazine?
2-[2-(3H-pyrrol-5-yl)ethyl]piperazine has a molecular weight of 179.27 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3H-pyrrol-5-yl)ethyl]piperazine is sourced from PubChem (CID 20641669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).