[2-(aminomethyl)oxolan-3-yl]-(4-methylpiperazin-1-yl)methanone;ethane

C13H27N3O2 — CID 166116767

IUPAC[2-(aminomethyl)oxolan-3-yl]-(4-methylpiperazin-1-yl)methanone;ethane
SMILESCC.CN1CCN(C(=O)C2CCOC2CN)CC1
InChIInChI=1S/C11H21N3O2.C2H6/c1-13-3-5-14(6-4-13)11(15)9-2-7-16-10(9)8-12;1-2/h9-10H,2-8,12H2,1H3;1-2H3
InChIKeyLGLXLUXLDKNCGT-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.15
Rot. Bonds2

About [2-(aminomethyl)oxolan-3-yl]-(4-methylpiperazin-1-yl)methanone;ethane

[2-(aminomethyl)oxolan-3-yl]-(4-methylpiperazin-1-yl)methanone;ethane (PubChem CID 166116767) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is [2-(aminomethyl)oxolan-3-yl]-(4-methylpiperazin-1-yl)methanone;ethane.

Molecular Properties

Compound Name[2-(aminomethyl)oxolan-3-yl]-(4-methylpiperazin-1-yl)methanone;ethane
PubChem CID166116767
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name[2-(aminomethyl)oxolan-3-yl]-(4-methylpiperazin-1-yl)methanone;ethane
SMILESCC.CN1CCN(C(=O)C2CCOC2CN)CC1
InChIInChI=1S/C11H21N3O2.C2H6/c1-13-3-5-14(6-4-13)11(15)9-2-7-16-10(9)8-12;1-2/h9-10H,2-8,12H2,1H3;1-2H3
InChIKeyLGLXLUXLDKNCGT-UHFFFAOYSA-N
XLogP0.15
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)oxolan-3-yl]-(4-methylpiperazin-1-yl)methanone;ethane?
The IUPAC name of [2-(aminomethyl)oxolan-3-yl]-(4-methylpiperazin-1-yl)methanone;ethane (CID 166116767) is [2-(aminomethyl)oxolan-3-yl]-(4-methylpiperazin-1-yl)methanone;ethane.
What is the SMILES notation for [2-(aminomethyl)oxolan-3-yl]-(4-methylpiperazin-1-yl)methanone;ethane?
The canonical SMILES for [2-(aminomethyl)oxolan-3-yl]-(4-methylpiperazin-1-yl)methanone;ethane is CC.CN1CCN(C(=O)C2CCOC2CN)CC1.
What is the InChIKey of [2-(aminomethyl)oxolan-3-yl]-(4-methylpiperazin-1-yl)methanone;ethane?
The InChIKey is LGLXLUXLDKNCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2.C2H6/c1-13-3-5-14(6-4-13)11(15)9-2-7-16-10(9)8-12;1-2/h9-10H,2-8,12H2,1H3;1-2H3.
What are the key properties of [2-(aminomethyl)oxolan-3-yl]-(4-methylpiperazin-1-yl)methanone;ethane?
[2-(aminomethyl)oxolan-3-yl]-(4-methylpiperazin-1-yl)methanone;ethane has a molecular weight of 257.38 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)oxolan-3-yl]-(4-methylpiperazin-1-yl)methanone;ethane is sourced from PubChem (CID 166116767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).