3-hydroxydioxaborirane;1-methylpiperidin-4-one

C6H12BNO4 — CID 91574741

IUPAC3-hydroxydioxaborirane;1-methylpiperidin-4-one
SMILESCN1CCC(=O)CC1.OB1OO1
InChIInChI=1S/C6H11NO.BHO3/c1-7-4-2-6(8)3-5-7;2-1-3-4-1/h2-5H2,1H3;2H
InChIKeyKQFZKGGBSHSOPG-UHFFFAOYSA-N
MW172.98 g/mol
LogP-0.79
Rot. Bonds

About 3-hydroxydioxaborirane;1-methylpiperidin-4-one

3-hydroxydioxaborirane;1-methylpiperidin-4-one (PubChem CID 91574741) has the molecular formula C6H12BNO4 and a molecular weight of 172.98 g/mol. Its IUPAC name is 3-hydroxydioxaborirane;1-methylpiperidin-4-one.

Molecular Properties

Compound Name3-hydroxydioxaborirane;1-methylpiperidin-4-one
PubChem CID91574741
Molecular FormulaC6H12BNO4
Molecular Weight172.98 g/mol
Exact Mass173.09
IUPAC Name3-hydroxydioxaborirane;1-methylpiperidin-4-one
SMILESCN1CCC(=O)CC1.OB1OO1
InChIInChI=1S/C6H11NO.BHO3/c1-7-4-2-6(8)3-5-7;2-1-3-4-1/h2-5H2,1H3;2H
InChIKeyKQFZKGGBSHSOPG-UHFFFAOYSA-N
XLogP-0.79
TPSA65.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.98
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-hydroxydioxaborirane;1-methylpiperidin-4-one 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

1-methylpiperidin-4-one;sulfuric acid
CID 155024091
methanesulfonic acid;1-methylpiperidine;1-methylpiperidin-4-one
CID 175444930
methoxymethane;1-methylazepan-4-one
CID 143907303
benzoic acid;1-methylpiperidin-4-one
CID 155024090
1-methylazepane-4,5-dione
CID 154317787
1-(trideuteriomethyl)pyrrolidin-3-one
CID 164745373
1-acetylpiperidin-4-one;ethane
CID 91328133
1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-one
CID 114515872
1-(2-hydroxyethyl)piperidin-4-one
CID 15006446
1-(4-oxopiperidine-1-carbonyl)piperidin-4-one
CID 162120137
cyclopropanone;ethane
CID 90860291
ethane;1-methyl-2-prop-1-en-2-yldiazepan-5-one
CID 91474753

Frequently Asked Questions

What is the IUPAC name of 3-hydroxydioxaborirane;1-methylpiperidin-4-one?
The IUPAC name of 3-hydroxydioxaborirane;1-methylpiperidin-4-one (CID 91574741) is 3-hydroxydioxaborirane;1-methylpiperidin-4-one.
What is the SMILES notation for 3-hydroxydioxaborirane;1-methylpiperidin-4-one?
The canonical SMILES for 3-hydroxydioxaborirane;1-methylpiperidin-4-one is CN1CCC(=O)CC1.OB1OO1.
What is the InChIKey of 3-hydroxydioxaborirane;1-methylpiperidin-4-one?
The InChIKey is KQFZKGGBSHSOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.BHO3/c1-7-4-2-6(8)3-5-7;2-1-3-4-1/h2-5H2,1H3;2H.
What are the key properties of 3-hydroxydioxaborirane;1-methylpiperidin-4-one?
3-hydroxydioxaborirane;1-methylpiperidin-4-one has a molecular weight of 172.98 g/mol, XLogP of -0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxydioxaborirane;1-methylpiperidin-4-one is sourced from PubChem (CID 91574741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).