3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one

C12H22N2O2 — CID 83039430

IUPAC3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one
SMILESCC1(C)CC(N2CCCC(N)C2=O)CCO1
InChIInChI=1S/C12H22N2O2/c1-12(2)8-9(5-7-16-12)14-6-3-4-10(13)11(14)15/h9-10H,3-8,13H2,1-2H3
InChIKeyJVVRPMHBRWNMDM-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.89
Rot. Bonds1

About 3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one

3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one (PubChem CID 83039430) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one.

Molecular Properties

Compound Name3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one
PubChem CID83039430
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one
SMILESCC1(C)CC(N2CCCC(N)C2=O)CCO1
InChIInChI=1S/C12H22N2O2/c1-12(2)8-9(5-7-16-12)14-6-3-4-10(13)11(14)15/h9-10H,3-8,13H2,1-2H3
InChIKeyJVVRPMHBRWNMDM-UHFFFAOYSA-N
XLogP0.89
TPSA55.56 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 ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one?
The IUPAC name of 3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one (CID 83039430) is 3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one.
What is the SMILES notation for 3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one?
The canonical SMILES for 3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one is CC1(C)CC(N2CCCC(N)C2=O)CCO1.
What is the InChIKey of 3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one?
The InChIKey is JVVRPMHBRWNMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2)8-9(5-7-16-12)14-6-3-4-10(13)11(14)15/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one?
3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one has a molecular weight of 226.32 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one is sourced from PubChem (CID 83039430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).