2-(2,2-dimethylmorpholin-4-yl)-1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethanone

C16H30N2O3 — CID 70907065

IUPAC2-(2,2-dimethylmorpholin-4-yl)-1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethanone
SMILESCC1(C)CN(CC(=O)N2CCC(C(C)(C)O)CC2)CCO1
InChIInChI=1S/C16H30N2O3/c1-15(2)12-17(9-10-21-15)11-14(19)18-7-5-13(6-8-18)16(3,4)20/h13,20H,5-12H2,1-4H3
InChIKeyFQJYRVKRMOOFMX-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.11
Rot. Bonds3

About 2-(2,2-dimethylmorpholin-4-yl)-1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethanone

2-(2,2-dimethylmorpholin-4-yl)-1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethanone (PubChem CID 70907065) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-(2,2-dimethylmorpholin-4-yl)-1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,2-dimethylmorpholin-4-yl)-1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethanone
PubChem CID70907065
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-(2,2-dimethylmorpholin-4-yl)-1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethanone
SMILESCC1(C)CN(CC(=O)N2CCC(C(C)(C)O)CC2)CCO1
InChIInChI=1S/C16H30N2O3/c1-15(2)12-17(9-10-21-15)11-14(19)18-7-5-13(6-8-18)16(3,4)20/h13,20H,5-12H2,1-4H3
InChIKeyFQJYRVKRMOOFMX-UHFFFAOYSA-N
XLogP1.11
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethanone (CID 70907065) is 2-(2,2-dimethylmorpholin-4-yl)-1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,2-dimethylmorpholin-4-yl)-1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,2-dimethylmorpholin-4-yl)-1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethanone is CC1(C)CN(CC(=O)N2CCC(C(C)(C)O)CC2)CCO1.
What is the InChIKey of 2-(2,2-dimethylmorpholin-4-yl)-1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethanone?
The InChIKey is FQJYRVKRMOOFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-15(2)12-17(9-10-21-15)11-14(19)18-7-5-13(6-8-18)16(3,4)20/h13,20H,5-12H2,1-4H3.
What are the key properties of 2-(2,2-dimethylmorpholin-4-yl)-1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethanone?
2-(2,2-dimethylmorpholin-4-yl)-1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethanone has a molecular weight of 298.43 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylmorpholin-4-yl)-1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 70907065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).