4-[[4-(dimethylamino)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one

C16H30N2O2 — CID 79934553

IUPAC4-[[4-(dimethylamino)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCN(C)C1CCN(CC2C(=O)C(C)(C)OC2(C)C)CC1
InChIInChI=1S/C16H30N2O2/c1-15(2)13(14(19)16(3,4)20-15)11-18-9-7-12(8-10-18)17(5)6/h12-13H,7-11H2,1-6H3
InChIKeyHCNZHKQBWGEEIA-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.79
Rot. Bonds3

About 4-[[4-(dimethylamino)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one

4-[[4-(dimethylamino)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one (PubChem CID 79934553) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one.

Molecular Properties

Compound Name4-[[4-(dimethylamino)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one
PubChem CID79934553
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name4-[[4-(dimethylamino)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCN(C)C1CCN(CC2C(=O)C(C)(C)OC2(C)C)CC1
InChIInChI=1S/C16H30N2O2/c1-15(2)13(14(19)16(3,4)20-15)11-18-9-7-12(8-10-18)17(5)6/h12-13H,7-11H2,1-6H3
InChIKeyHCNZHKQBWGEEIA-UHFFFAOYSA-N
XLogP1.79
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The IUPAC name of 4-[[4-(dimethylamino)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one (CID 79934553) is 4-[[4-(dimethylamino)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one.
What is the SMILES notation for 4-[[4-(dimethylamino)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The canonical SMILES for 4-[[4-(dimethylamino)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one is CN(C)C1CCN(CC2C(=O)C(C)(C)OC2(C)C)CC1.
What is the InChIKey of 4-[[4-(dimethylamino)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The InChIKey is HCNZHKQBWGEEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-15(2)13(14(19)16(3,4)20-15)11-18-9-7-12(8-10-18)17(5)6/h12-13H,7-11H2,1-6H3.
What are the key properties of 4-[[4-(dimethylamino)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one?
4-[[4-(dimethylamino)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one has a molecular weight of 282.43 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one is sourced from PubChem (CID 79934553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).