[(2R)-2,4-dimethylpiperazin-1-yl]-(oxolan-2-yl)methanone

C11H20N2O2 — CID 170205931

IUPAC[(2R)-2,4-dimethylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESC[C@@H]1CN(C)CCN1C(=O)C1CCCO1
InChIInChI=1S/C11H20N2O2/c1-9-8-12(2)5-6-13(9)11(14)10-4-3-7-15-10/h9-10H,3-8H2,1-2H3/t9-,10?/m1/s1
InChIKeyKQRAMSRKOPZLJY-YHMJZVADSA-N
MW212.29 g/mol
LogP0.33
Rot. Bonds1

About [(2R)-2,4-dimethylpiperazin-1-yl]-(oxolan-2-yl)methanone

[(2R)-2,4-dimethylpiperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 170205931) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is [(2R)-2,4-dimethylpiperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[(2R)-2,4-dimethylpiperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID170205931
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name[(2R)-2,4-dimethylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESC[C@@H]1CN(C)CCN1C(=O)C1CCCO1
InChIInChI=1S/C11H20N2O2/c1-9-8-12(2)5-6-13(9)11(14)10-4-3-7-15-10/h9-10H,3-8H2,1-2H3/t9-,10?/m1/s1
InChIKeyKQRAMSRKOPZLJY-YHMJZVADSA-N
XLogP0.33
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 80505057
[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 134379973
[(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 100836872
2-methyl-1-[(2R)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
CID 106742253
(2-methyl-1,3-oxazinan-3-yl)-(oxolan-2-yl)methanone
CID 110739759
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 104856469
methyl 4-[(3S)-3-methyl-4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]benzoate
CID 100853368
(4-methylpiperazin-1-yl)-(oxan-2-yl)methanone
CID 64593251
[(3R)-3-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 143794584
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
CID 81208731
(2,4-dimethylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone
CID 114085731
(2,4-dimethylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 103814614

Frequently Asked Questions

What is the IUPAC name of [(2R)-2,4-dimethylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [(2R)-2,4-dimethylpiperazin-1-yl]-(oxolan-2-yl)methanone (CID 170205931) is [(2R)-2,4-dimethylpiperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [(2R)-2,4-dimethylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [(2R)-2,4-dimethylpiperazin-1-yl]-(oxolan-2-yl)methanone is C[C@@H]1CN(C)CCN1C(=O)C1CCCO1.
What is the InChIKey of [(2R)-2,4-dimethylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is KQRAMSRKOPZLJY-YHMJZVADSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9-8-12(2)5-6-13(9)11(14)10-4-3-7-15-10/h9-10H,3-8H2,1-2H3/t9-,10?/m1/s1.
What are the key properties of [(2R)-2,4-dimethylpiperazin-1-yl]-(oxolan-2-yl)methanone?
[(2R)-2,4-dimethylpiperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 212.29 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,4-dimethylpiperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 170205931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).