1,2,4-trimethyl-2-(oxan-4-yl)piperazine

C12H24N2O — CID 116856567

IUPAC1,2,4-trimethyl-2-(oxan-4-yl)piperazine
SMILESCN1CCN(C)C(C)(C2CCOCC2)C1
InChIInChI=1S/C12H24N2O/c1-12(11-4-8-15-9-5-11)10-13(2)6-7-14(12)3/h11H,4-10H2,1-3H3
InChIKeyNVDLEJGYJQMQEM-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.05
Rot. Bonds1

About 1,2,4-trimethyl-2-(oxan-4-yl)piperazine

1,2,4-trimethyl-2-(oxan-4-yl)piperazine (PubChem CID 116856567) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1,2,4-trimethyl-2-(oxan-4-yl)piperazine.

Molecular Properties

Compound Name1,2,4-trimethyl-2-(oxan-4-yl)piperazine
PubChem CID116856567
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1,2,4-trimethyl-2-(oxan-4-yl)piperazine
SMILESCN1CCN(C)C(C)(C2CCOCC2)C1
InChIInChI=1S/C12H24N2O/c1-12(11-4-8-15-9-5-11)10-13(2)6-7-14(12)3/h11H,4-10H2,1-3H3
InChIKeyNVDLEJGYJQMQEM-UHFFFAOYSA-N
XLogP1.05
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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 1,2,4-trimethyl-2-(oxan-4-yl)piperazine?
The IUPAC name of 1,2,4-trimethyl-2-(oxan-4-yl)piperazine (CID 116856567) is 1,2,4-trimethyl-2-(oxan-4-yl)piperazine.
What is the SMILES notation for 1,2,4-trimethyl-2-(oxan-4-yl)piperazine?
The canonical SMILES for 1,2,4-trimethyl-2-(oxan-4-yl)piperazine is CN1CCN(C)C(C)(C2CCOCC2)C1.
What is the InChIKey of 1,2,4-trimethyl-2-(oxan-4-yl)piperazine?
The InChIKey is NVDLEJGYJQMQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(11-4-8-15-9-5-11)10-13(2)6-7-14(12)3/h11H,4-10H2,1-3H3.
What are the key properties of 1,2,4-trimethyl-2-(oxan-4-yl)piperazine?
1,2,4-trimethyl-2-(oxan-4-yl)piperazine has a molecular weight of 212.34 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-2-(oxan-4-yl)piperazine is sourced from PubChem (CID 116856567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).