ethane;1-(oxolan-2-ylmethyl)piperazine

C11H24N2O — CID 145338725

IUPACethane;1-(oxolan-2-ylmethyl)piperazine
SMILESC1COC(CN2CCNCC2)C1.CC
InChIInChI=1S/C9H18N2O.C2H6/c1-2-9(12-7-1)8-11-5-3-10-4-6-11;1-2/h9-10H,1-8H2;1-2H3
InChIKeyFMPIZLBDWIJXNE-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.10
Rot. Bonds2

About ethane;1-(oxolan-2-ylmethyl)piperazine

ethane;1-(oxolan-2-ylmethyl)piperazine (PubChem CID 145338725) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is ethane;1-(oxolan-2-ylmethyl)piperazine.

Molecular Properties

Compound Nameethane;1-(oxolan-2-ylmethyl)piperazine
PubChem CID145338725
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Nameethane;1-(oxolan-2-ylmethyl)piperazine
SMILESC1COC(CN2CCNCC2)C1.CC
InChIInChI=1S/C9H18N2O.C2H6/c1-2-9(12-7-1)8-11-5-3-10-4-6-11;1-2/h9-10H,1-8H2;1-2H3
InChIKeyFMPIZLBDWIJXNE-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(oxolan-2-ylmethyl)piperazine?
The IUPAC name of ethane;1-(oxolan-2-ylmethyl)piperazine (CID 145338725) is ethane;1-(oxolan-2-ylmethyl)piperazine.
What is the SMILES notation for ethane;1-(oxolan-2-ylmethyl)piperazine?
The canonical SMILES for ethane;1-(oxolan-2-ylmethyl)piperazine is C1COC(CN2CCNCC2)C1.CC.
What is the InChIKey of ethane;1-(oxolan-2-ylmethyl)piperazine?
The InChIKey is FMPIZLBDWIJXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C2H6/c1-2-9(12-7-1)8-11-5-3-10-4-6-11;1-2/h9-10H,1-8H2;1-2H3.
What are the key properties of ethane;1-(oxolan-2-ylmethyl)piperazine?
ethane;1-(oxolan-2-ylmethyl)piperazine has a molecular weight of 200.33 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(oxolan-2-ylmethyl)piperazine is sourced from PubChem (CID 145338725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).