1-[2-(2,3-dihydropyridin-2-yl)ethyl]piperazine

C11H19N3 — CID 57000685

IUPAC1-[2-(2,3-dihydropyridin-2-yl)ethyl]piperazine
SMILESC1=CCC(CCN2CCNCC2)N=C1
InChIInChI=1S/C11H19N3/c1-2-5-13-11(3-1)4-8-14-9-6-12-7-10-14/h1-2,5,11-12H,3-4,6-10H2
InChIKeyUXJYZEPCSWDBTH-UHFFFAOYSA-N
MW193.29 g/mol
LogP0.68
Rot. Bonds3

About 1-[2-(2,3-dihydropyridin-2-yl)ethyl]piperazine

1-[2-(2,3-dihydropyridin-2-yl)ethyl]piperazine (PubChem CID 57000685) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-[2-(2,3-dihydropyridin-2-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(2,3-dihydropyridin-2-yl)ethyl]piperazine
PubChem CID57000685
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-[2-(2,3-dihydropyridin-2-yl)ethyl]piperazine
SMILESC1=CCC(CCN2CCNCC2)N=C1
InChIInChI=1S/C11H19N3/c1-2-5-13-11(3-1)4-8-14-9-6-12-7-10-14/h1-2,5,11-12H,3-4,6-10H2
InChIKeyUXJYZEPCSWDBTH-UHFFFAOYSA-N
XLogP0.68
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydropyridin-2-yl)ethyl]piperazine?
The IUPAC name of 1-[2-(2,3-dihydropyridin-2-yl)ethyl]piperazine (CID 57000685) is 1-[2-(2,3-dihydropyridin-2-yl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(2,3-dihydropyridin-2-yl)ethyl]piperazine?
The canonical SMILES for 1-[2-(2,3-dihydropyridin-2-yl)ethyl]piperazine is C1=CCC(CCN2CCNCC2)N=C1.
What is the InChIKey of 1-[2-(2,3-dihydropyridin-2-yl)ethyl]piperazine?
The InChIKey is UXJYZEPCSWDBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-2-5-13-11(3-1)4-8-14-9-6-12-7-10-14/h1-2,5,11-12H,3-4,6-10H2.
What are the key properties of 1-[2-(2,3-dihydropyridin-2-yl)ethyl]piperazine?
1-[2-(2,3-dihydropyridin-2-yl)ethyl]piperazine has a molecular weight of 193.29 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydropyridin-2-yl)ethyl]piperazine is sourced from PubChem (CID 57000685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).