1-(2,6-dimethylmorpholin-4-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one

C15H28N2O3 — CID 51080729

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
SMILESCC1CN(C(=O)C(C)N2CCC(CO)CC2)CC(C)O1
InChIInChI=1S/C15H28N2O3/c1-11-8-17(9-12(2)20-11)15(19)13(3)16-6-4-14(10-18)5-7-16/h11-14,18H,4-10H2,1-3H3
InChIKeyRHTCJOKJALXMGX-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.71
Rot. Bonds3

About 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one

1-(2,6-dimethylmorpholin-4-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one (PubChem CID 51080729) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
PubChem CID51080729
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
SMILESCC1CN(C(=O)C(C)N2CCC(CO)CC2)CC(C)O1
InChIInChI=1S/C15H28N2O3/c1-11-8-17(9-12(2)20-11)15(19)13(3)16-6-4-14(10-18)5-7-16/h11-14,18H,4-10H2,1-3H3
InChIKeyRHTCJOKJALXMGX-UHFFFAOYSA-N
XLogP0.71
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one (CID 51080729) is 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one is CC1CN(C(=O)C(C)N2CCC(CO)CC2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The InChIKey is RHTCJOKJALXMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11-8-17(9-12(2)20-11)15(19)13(3)16-6-4-14(10-18)5-7-16/h11-14,18H,4-10H2,1-3H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one?
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one has a molecular weight of 284.40 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 51080729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).