3-methylidene-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine

C11H22N2O — CID 129134189

IUPAC3-methylidene-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
SMILESC=C1CN(CCOC(C)(C)C)CCN1
InChIInChI=1S/C11H22N2O/c1-10-9-13(6-5-12-10)7-8-14-11(2,3)4/h12H,1,5-9H2,2-4H3
InChIKeyWHVUOOSVPLQYQR-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.22
Rot. Bonds3

About 3-methylidene-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine

3-methylidene-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine (PubChem CID 129134189) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-methylidene-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine.

Molecular Properties

Compound Name3-methylidene-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
PubChem CID129134189
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-methylidene-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
SMILESC=C1CN(CCOC(C)(C)C)CCN1
InChIInChI=1S/C11H22N2O/c1-10-9-13(6-5-12-10)7-8-14-11(2,3)4/h12H,1,5-9H2,2-4H3
InChIKeyWHVUOOSVPLQYQR-UHFFFAOYSA-N
XLogP1.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine?
The IUPAC name of 3-methylidene-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine (CID 129134189) is 3-methylidene-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine.
What is the SMILES notation for 3-methylidene-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine?
The canonical SMILES for 3-methylidene-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine is C=C1CN(CCOC(C)(C)C)CCN1.
What is the InChIKey of 3-methylidene-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine?
The InChIKey is WHVUOOSVPLQYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-10-9-13(6-5-12-10)7-8-14-11(2,3)4/h12H,1,5-9H2,2-4H3.
What are the key properties of 3-methylidene-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine?
3-methylidene-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine has a molecular weight of 198.31 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine is sourced from PubChem (CID 129134189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).