1-(5-ethynyl-3-pyridinyl)piperazine

C11H13N3 — CID 11513890

IUPAC1-(5-ethynyl-3-pyridinyl)piperazine
SMILESC#Cc1cncc(N2CCNCC2)c1
InChIInChI=1S/C11H13N3/c1-2-10-7-11(9-13-8-10)14-5-3-12-4-6-14/h1,7-9,12H,3-6H2
InChIKeyZCTZJNSQECNUGL-UHFFFAOYSA-N
MW187.25 g/mol
LogP0.47
Rot. Bonds1

About 1-(5-ethynyl-3-pyridinyl)piperazine

1-(5-ethynyl-3-pyridinyl)piperazine (PubChem CID 11513890) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 1-(5-ethynyl-3-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(5-ethynyl-3-pyridinyl)piperazine
PubChem CID11513890
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name1-(5-ethynyl-3-pyridinyl)piperazine
SMILESC#Cc1cncc(N2CCNCC2)c1
InChIInChI=1S/C11H13N3/c1-2-10-7-11(9-13-8-10)14-5-3-12-4-6-14/h1,7-9,12H,3-6H2
InChIKeyZCTZJNSQECNUGL-UHFFFAOYSA-N
XLogP0.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethynyl-3-pyridinyl)piperazine?
The IUPAC name of 1-(5-ethynyl-3-pyridinyl)piperazine (CID 11513890) is 1-(5-ethynyl-3-pyridinyl)piperazine.
What is the SMILES notation for 1-(5-ethynyl-3-pyridinyl)piperazine?
The canonical SMILES for 1-(5-ethynyl-3-pyridinyl)piperazine is C#Cc1cncc(N2CCNCC2)c1.
What is the InChIKey of 1-(5-ethynyl-3-pyridinyl)piperazine?
The InChIKey is ZCTZJNSQECNUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-2-10-7-11(9-13-8-10)14-5-3-12-4-6-14/h1,7-9,12H,3-6H2.
What are the key properties of 1-(5-ethynyl-3-pyridinyl)piperazine?
1-(5-ethynyl-3-pyridinyl)piperazine has a molecular weight of 187.25 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethynyl-3-pyridinyl)piperazine is sourced from PubChem (CID 11513890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).