1-(2-pyrrol-1-ylethyl)piperazine

C10H17N3 — CID 2760545

IUPAC1-(2-pyrrol-1-ylethyl)piperazine
SMILESc1ccn(CCN2CCNCC2)c1
InChIInChI=1S/C10H17N3/c1-2-6-12(5-1)9-10-13-7-3-11-4-8-13/h1-2,5-6,11H,3-4,7-10H2
InChIKeyJEDZVCLTESTPSI-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.39
Rot. Bonds3

About 1-(2-pyrrol-1-ylethyl)piperazine

1-(2-pyrrol-1-ylethyl)piperazine (PubChem CID 2760545) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(2-pyrrol-1-ylethyl)piperazine.

Molecular Properties

Compound Name1-(2-pyrrol-1-ylethyl)piperazine
PubChem CID2760545
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(2-pyrrol-1-ylethyl)piperazine
SMILESc1ccn(CCN2CCNCC2)c1
InChIInChI=1S/C10H17N3/c1-2-6-12(5-1)9-10-13-7-3-11-4-8-13/h1-2,5-6,11H,3-4,7-10H2
InChIKeyJEDZVCLTESTPSI-UHFFFAOYSA-N
XLogP0.39
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrol-1-ylethyl)piperazine?
The IUPAC name of 1-(2-pyrrol-1-ylethyl)piperazine (CID 2760545) is 1-(2-pyrrol-1-ylethyl)piperazine.
What is the SMILES notation for 1-(2-pyrrol-1-ylethyl)piperazine?
The canonical SMILES for 1-(2-pyrrol-1-ylethyl)piperazine is c1ccn(CCN2CCNCC2)c1.
What is the InChIKey of 1-(2-pyrrol-1-ylethyl)piperazine?
The InChIKey is JEDZVCLTESTPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-6-12(5-1)9-10-13-7-3-11-4-8-13/h1-2,5-6,11H,3-4,7-10H2.
What are the key properties of 1-(2-pyrrol-1-ylethyl)piperazine?
1-(2-pyrrol-1-ylethyl)piperazine has a molecular weight of 179.27 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrol-1-ylethyl)piperazine is sourced from PubChem (CID 2760545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).