(2,6-dimethylpiperazin-1-yl)-(oxan-4-yl)methanone

C12H22N2O2 — CID 63911588

IUPAC(2,6-dimethylpiperazin-1-yl)-(oxan-4-yl)methanone
SMILESCC1CNCC(C)N1C(=O)C1CCOCC1
InChIInChI=1S/C12H22N2O2/c1-9-7-13-8-10(2)14(9)12(15)11-3-5-16-6-4-11/h9-11,13H,3-8H2,1-2H3
InChIKeyWLNCIKKLHMVESL-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.62
Rot. Bonds1

About (2,6-dimethylpiperazin-1-yl)-(oxan-4-yl)methanone

(2,6-dimethylpiperazin-1-yl)-(oxan-4-yl)methanone (PubChem CID 63911588) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2,6-dimethylpiperazin-1-yl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperazin-1-yl)-(oxan-4-yl)methanone
PubChem CID63911588
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(2,6-dimethylpiperazin-1-yl)-(oxan-4-yl)methanone
SMILESCC1CNCC(C)N1C(=O)C1CCOCC1
InChIInChI=1S/C12H22N2O2/c1-9-7-13-8-10(2)14(9)12(15)11-3-5-16-6-4-11/h9-11,13H,3-8H2,1-2H3
InChIKeyWLNCIKKLHMVESL-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperazin-1-yl)-(oxan-4-yl)methanone?
The IUPAC name of (2,6-dimethylpiperazin-1-yl)-(oxan-4-yl)methanone (CID 63911588) is (2,6-dimethylpiperazin-1-yl)-(oxan-4-yl)methanone.
What is the SMILES notation for (2,6-dimethylpiperazin-1-yl)-(oxan-4-yl)methanone?
The canonical SMILES for (2,6-dimethylpiperazin-1-yl)-(oxan-4-yl)methanone is CC1CNCC(C)N1C(=O)C1CCOCC1.
What is the InChIKey of (2,6-dimethylpiperazin-1-yl)-(oxan-4-yl)methanone?
The InChIKey is WLNCIKKLHMVESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9-7-13-8-10(2)14(9)12(15)11-3-5-16-6-4-11/h9-11,13H,3-8H2,1-2H3.
What are the key properties of (2,6-dimethylpiperazin-1-yl)-(oxan-4-yl)methanone?
(2,6-dimethylpiperazin-1-yl)-(oxan-4-yl)methanone has a molecular weight of 226.32 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperazin-1-yl)-(oxan-4-yl)methanone is sourced from PubChem (CID 63911588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).