1,4-dioxan-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone

C11H19NO4 — CID 115874906

IUPAC1,4-dioxan-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)C2COCCO2)C1
InChIInChI=1S/C11H19NO4/c1-11(14)3-2-4-12(8-11)10(13)9-7-15-5-6-16-9/h9,14H,2-8H2,1H3
InChIKeyQVACXKXVRKZGFU-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.22
Rot. Bonds1

About 1,4-dioxan-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone

1,4-dioxan-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 115874906) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1,4-dioxan-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name1,4-dioxan-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID115874906
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name1,4-dioxan-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)C2COCCO2)C1
InChIInChI=1S/C11H19NO4/c1-11(14)3-2-4-12(8-11)10(13)9-7-15-5-6-16-9/h9,14H,2-8H2,1H3
InChIKeyQVACXKXVRKZGFU-UHFFFAOYSA-N
XLogP-0.22
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of 1,4-dioxan-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone (CID 115874906) is 1,4-dioxan-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for 1,4-dioxan-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for 1,4-dioxan-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone is CC1(O)CCCN(C(=O)C2COCCO2)C1.
What is the InChIKey of 1,4-dioxan-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is QVACXKXVRKZGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(14)3-2-4-12(8-11)10(13)9-7-15-5-6-16-9/h9,14H,2-8H2,1H3.
What are the key properties of 1,4-dioxan-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
1,4-dioxan-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 229.28 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 115874906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).