1-[2-(3H-pyrrol-3-yl)ethyl]piperazine

C10H17N3 — CID 89146995

IUPAC1-[2-(3H-pyrrol-3-yl)ethyl]piperazine
SMILESC1=CC(CCN2CCNCC2)C=N1
InChIInChI=1S/C10H17N3/c1-3-12-9-10(1)2-6-13-7-4-11-5-8-13/h1,3,9-11H,2,4-8H2
InChIKeyXQDNMXBUKDGKKR-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.50
Rot. Bonds3

About 1-[2-(3H-pyrrol-3-yl)ethyl]piperazine

1-[2-(3H-pyrrol-3-yl)ethyl]piperazine (PubChem CID 89146995) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-[2-(3H-pyrrol-3-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(3H-pyrrol-3-yl)ethyl]piperazine
PubChem CID89146995
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-[2-(3H-pyrrol-3-yl)ethyl]piperazine
SMILESC1=CC(CCN2CCNCC2)C=N1
InChIInChI=1S/C10H17N3/c1-3-12-9-10(1)2-6-13-7-4-11-5-8-13/h1,3,9-11H,2,4-8H2
InChIKeyXQDNMXBUKDGKKR-UHFFFAOYSA-N
XLogP0.50
TPSA27.63 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 ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3H-pyrrol-3-yl)ethyl]piperazine?
The IUPAC name of 1-[2-(3H-pyrrol-3-yl)ethyl]piperazine (CID 89146995) is 1-[2-(3H-pyrrol-3-yl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(3H-pyrrol-3-yl)ethyl]piperazine?
The canonical SMILES for 1-[2-(3H-pyrrol-3-yl)ethyl]piperazine is C1=CC(CCN2CCNCC2)C=N1.
What is the InChIKey of 1-[2-(3H-pyrrol-3-yl)ethyl]piperazine?
The InChIKey is XQDNMXBUKDGKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-12-9-10(1)2-6-13-7-4-11-5-8-13/h1,3,9-11H,2,4-8H2.
What are the key properties of 1-[2-(3H-pyrrol-3-yl)ethyl]piperazine?
1-[2-(3H-pyrrol-3-yl)ethyl]piperazine has a molecular weight of 179.27 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3H-pyrrol-3-yl)ethyl]piperazine is sourced from PubChem (CID 89146995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).