(2,6-dimethylpiperazin-1-yl)-(5-methyloxolan-3-yl)methanone

C12H22N2O2 — CID 114826406

IUPAC(2,6-dimethylpiperazin-1-yl)-(5-methyloxolan-3-yl)methanone
SMILESCC1CC(C(=O)N2C(C)CNCC2C)CO1
InChIInChI=1S/C12H22N2O2/c1-8-5-13-6-9(2)14(8)12(15)11-4-10(3)16-7-11/h8-11,13H,4-7H2,1-3H3
InChIKeyCEZZSDTUQBRFCO-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.62
Rot. Bonds1

About (2,6-dimethylpiperazin-1-yl)-(5-methyloxolan-3-yl)methanone

(2,6-dimethylpiperazin-1-yl)-(5-methyloxolan-3-yl)methanone (PubChem CID 114826406) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2,6-dimethylpiperazin-1-yl)-(5-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperazin-1-yl)-(5-methyloxolan-3-yl)methanone
PubChem CID114826406
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(2,6-dimethylpiperazin-1-yl)-(5-methyloxolan-3-yl)methanone
SMILESCC1CC(C(=O)N2C(C)CNCC2C)CO1
InChIInChI=1S/C12H22N2O2/c1-8-5-13-6-9(2)14(8)12(15)11-4-10(3)16-7-11/h8-11,13H,4-7H2,1-3H3
InChIKeyCEZZSDTUQBRFCO-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)-(5-methyloxolan-3-yl)methanone?
The IUPAC name of (2,6-dimethylpiperazin-1-yl)-(5-methyloxolan-3-yl)methanone (CID 114826406) is (2,6-dimethylpiperazin-1-yl)-(5-methyloxolan-3-yl)methanone.
What is the SMILES notation for (2,6-dimethylpiperazin-1-yl)-(5-methyloxolan-3-yl)methanone?
The canonical SMILES for (2,6-dimethylpiperazin-1-yl)-(5-methyloxolan-3-yl)methanone is CC1CC(C(=O)N2C(C)CNCC2C)CO1.
What is the InChIKey of (2,6-dimethylpiperazin-1-yl)-(5-methyloxolan-3-yl)methanone?
The InChIKey is CEZZSDTUQBRFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-8-5-13-6-9(2)14(8)12(15)11-4-10(3)16-7-11/h8-11,13H,4-7H2,1-3H3.
What are the key properties of (2,6-dimethylpiperazin-1-yl)-(5-methyloxolan-3-yl)methanone?
(2,6-dimethylpiperazin-1-yl)-(5-methyloxolan-3-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)-(5-methyloxolan-3-yl)methanone is sourced from PubChem (CID 114826406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).