(4-ethylpiperazin-1-yl)-(oxolan-2-yl)methanone

C11H20N2O2 — CID 3636284

IUPAC(4-ethylpiperazin-1-yl)-(oxolan-2-yl)methanone
SMILESCCN1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C11H20N2O2/c1-2-12-5-7-13(8-6-12)11(14)10-4-3-9-15-10/h10H,2-9H2,1H3
InChIKeyBEGUGULNDJEZKW-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.33
Rot. Bonds2

About (4-ethylpiperazin-1-yl)-(oxolan-2-yl)methanone

(4-ethylpiperazin-1-yl)-(oxolan-2-yl)methanone (PubChem CID 3636284) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(oxolan-2-yl)methanone
PubChem CID3636284
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(4-ethylpiperazin-1-yl)-(oxolan-2-yl)methanone
SMILESCCN1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C11H20N2O2/c1-2-12-5-7-13(8-6-12)11(14)10-4-3-9-15-10/h10H,2-9H2,1H3
InChIKeyBEGUGULNDJEZKW-UHFFFAOYSA-N
XLogP0.33
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(oxolan-2-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(oxolan-2-yl)methanone (CID 3636284) is (4-ethylpiperazin-1-yl)-(oxolan-2-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(oxolan-2-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(oxolan-2-yl)methanone is CCN1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(oxolan-2-yl)methanone?
The InChIKey is BEGUGULNDJEZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-12-5-7-13(8-6-12)11(14)10-4-3-9-15-10/h10H,2-9H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(oxolan-2-yl)methanone?
(4-ethylpiperazin-1-yl)-(oxolan-2-yl)methanone has a molecular weight of 212.29 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(oxolan-2-yl)methanone is sourced from PubChem (CID 3636284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).