1-(2-ethylbutyl)-4-propan-2-ylpiperazine

C13H28N2 — CID 21303251

IUPAC1-(2-ethylbutyl)-4-propan-2-ylpiperazine
SMILESCCC(CC)CN1CCN(C(C)C)CC1
InChIInChI=1S/C13H28N2/c1-5-13(6-2)11-14-7-9-15(10-8-14)12(3)4/h12-13H,5-11H2,1-4H3
InChIKeyRMCLRQZGEZTKRH-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.45
Rot. Bonds5

About 1-(2-ethylbutyl)-4-propan-2-ylpiperazine

1-(2-ethylbutyl)-4-propan-2-ylpiperazine (PubChem CID 21303251) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-(2-ethylbutyl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2-ethylbutyl)-4-propan-2-ylpiperazine
PubChem CID21303251
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-(2-ethylbutyl)-4-propan-2-ylpiperazine
SMILESCCC(CC)CN1CCN(C(C)C)CC1
InChIInChI=1S/C13H28N2/c1-5-13(6-2)11-14-7-9-15(10-8-14)12(3)4/h12-13H,5-11H2,1-4H3
InChIKeyRMCLRQZGEZTKRH-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutyl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(2-ethylbutyl)-4-propan-2-ylpiperazine (CID 21303251) is 1-(2-ethylbutyl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2-ethylbutyl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(2-ethylbutyl)-4-propan-2-ylpiperazine is CCC(CC)CN1CCN(C(C)C)CC1.
What is the InChIKey of 1-(2-ethylbutyl)-4-propan-2-ylpiperazine?
The InChIKey is RMCLRQZGEZTKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-13(6-2)11-14-7-9-15(10-8-14)12(3)4/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-(2-ethylbutyl)-4-propan-2-ylpiperazine?
1-(2-ethylbutyl)-4-propan-2-ylpiperazine has a molecular weight of 212.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 21303251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).