1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperazine

C15H25N3 — CID 59019183

IUPAC1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperazine
SMILESCCN1CCN(c2ccc(C(C)(C)C)cn2)CC1
InChIInChI=1S/C15H25N3/c1-5-17-8-10-18(11-9-17)14-7-6-13(12-16-14)15(2,3)4/h6-7,12H,5,8-11H2,1-4H3
InChIKeyWAOLNRZLNJDZLJ-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.52
Rot. Bonds2

About 1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperazine

1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperazine (PubChem CID 59019183) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperazine.

Molecular Properties

Compound Name1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperazine
PubChem CID59019183
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperazine
SMILESCCN1CCN(c2ccc(C(C)(C)C)cn2)CC1
InChIInChI=1S/C15H25N3/c1-5-17-8-10-18(11-9-17)14-7-6-13(12-16-14)15(2,3)4/h6-7,12H,5,8-11H2,1-4H3
InChIKeyWAOLNRZLNJDZLJ-UHFFFAOYSA-N
XLogP2.52
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperazine?
The IUPAC name of 1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperazine (CID 59019183) is 1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperazine.
What is the SMILES notation for 1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperazine?
The canonical SMILES for 1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperazine is CCN1CCN(c2ccc(C(C)(C)C)cn2)CC1.
What is the InChIKey of 1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperazine?
The InChIKey is WAOLNRZLNJDZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-5-17-8-10-18(11-9-17)14-7-6-13(12-16-14)15(2,3)4/h6-7,12H,5,8-11H2,1-4H3.
What are the key properties of 1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperazine?
1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperazine has a molecular weight of 247.39 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperazine is sourced from PubChem (CID 59019183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).