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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-hydroxy-3-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 115885938
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1,4-dioxan-2-yl)methanone
CID 113222366
(3S)-1-(1,4-dioxane-2-carbonyl)piperidine-3-carboxylic acid
CID 81125447
[3-(chloromethyl)piperidin-1-yl]-(1,4-dioxan-2-yl)methanone
CID 63393242
3-hydroxy-N,3-dimethylpiperidine-1-carboxamide
CID 115872031
1,4-dioxan-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43427982
1-(1,4-dioxane-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63031794
(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-methyloxolan-2-yl)methanone
CID 103773754
2-ethoxy-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115874750
N-[[1-(1,4-dioxane-2-carbonyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 102557033
3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874781
3-(3-hydroxy-3-methylpiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 115874663

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).