1-(2-pyridin-4-ylethyl)piperazine

C11H17N3 — CID 558685

IUPAC1-(2-pyridin-4-ylethyl)piperazine
SMILESc1cc(CCN2CCNCC2)ccn1
InChIInChI=1S/C11H17N3/c1-4-12-5-2-11(1)3-8-14-9-6-13-7-10-14/h1-2,4-5,13H,3,6-10H2
InChIKeyPXJMEKXBONLMNG-UHFFFAOYSA-N
MW191.28 g/mol
LogP0.53
Rot. Bonds3

About 1-(2-pyridin-4-ylethyl)piperazine

1-(2-pyridin-4-ylethyl)piperazine (PubChem CID 558685) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-(2-pyridin-4-ylethyl)piperazine.

Molecular Properties

Compound Name1-(2-pyridin-4-ylethyl)piperazine
PubChem CID558685
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-(2-pyridin-4-ylethyl)piperazine
SMILESc1cc(CCN2CCNCC2)ccn1
InChIInChI=1S/C11H17N3/c1-4-12-5-2-11(1)3-8-14-9-6-13-7-10-14/h1-2,4-5,13H,3,6-10H2
InChIKeyPXJMEKXBONLMNG-UHFFFAOYSA-N
XLogP0.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-4-ylethyl)piperazine?
The IUPAC name of 1-(2-pyridin-4-ylethyl)piperazine (CID 558685) is 1-(2-pyridin-4-ylethyl)piperazine.
What is the SMILES notation for 1-(2-pyridin-4-ylethyl)piperazine?
The canonical SMILES for 1-(2-pyridin-4-ylethyl)piperazine is c1cc(CCN2CCNCC2)ccn1.
What is the InChIKey of 1-(2-pyridin-4-ylethyl)piperazine?
The InChIKey is PXJMEKXBONLMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-4-12-5-2-11(1)3-8-14-9-6-13-7-10-14/h1-2,4-5,13H,3,6-10H2.
What are the key properties of 1-(2-pyridin-4-ylethyl)piperazine?
1-(2-pyridin-4-ylethyl)piperazine has a molecular weight of 191.28 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-4-ylethyl)piperazine is sourced from PubChem (CID 558685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).