1-methyl-4-[2-(oxan-4-yl)ethyl]piperazine

C12H24N2O — CID 68851662

IUPAC1-methyl-4-[2-(oxan-4-yl)ethyl]piperazine
SMILESCN1CCN(CCC2CCOCC2)CC1
InChIInChI=1S/C12H24N2O/c1-13-6-8-14(9-7-13)5-2-12-3-10-15-11-4-12/h12H,2-11H2,1H3
InChIKeyBVBDBRHTIOFREZ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.05
Rot. Bonds3

About 1-methyl-4-[2-(oxan-4-yl)ethyl]piperazine

1-methyl-4-[2-(oxan-4-yl)ethyl]piperazine (PubChem CID 68851662) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-methyl-4-[2-(oxan-4-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-(oxan-4-yl)ethyl]piperazine
PubChem CID68851662
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-methyl-4-[2-(oxan-4-yl)ethyl]piperazine
SMILESCN1CCN(CCC2CCOCC2)CC1
InChIInChI=1S/C12H24N2O/c1-13-6-8-14(9-7-13)5-2-12-3-10-15-11-4-12/h12H,2-11H2,1H3
InChIKeyBVBDBRHTIOFREZ-UHFFFAOYSA-N
XLogP1.05
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(oxan-4-yl)ethyl]piperazine?
The IUPAC name of 1-methyl-4-[2-(oxan-4-yl)ethyl]piperazine (CID 68851662) is 1-methyl-4-[2-(oxan-4-yl)ethyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-(oxan-4-yl)ethyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-(oxan-4-yl)ethyl]piperazine is CN1CCN(CCC2CCOCC2)CC1.
What is the InChIKey of 1-methyl-4-[2-(oxan-4-yl)ethyl]piperazine?
The InChIKey is BVBDBRHTIOFREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-13-6-8-14(9-7-13)5-2-12-3-10-15-11-4-12/h12H,2-11H2,1H3.
What are the key properties of 1-methyl-4-[2-(oxan-4-yl)ethyl]piperazine?
1-methyl-4-[2-(oxan-4-yl)ethyl]piperazine has a molecular weight of 212.34 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(oxan-4-yl)ethyl]piperazine is sourced from PubChem (CID 68851662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).