piperidine-4-carboperoxoic acid

C6H11NO3 — CID 19094880

IUPACpiperidine-4-carboperoxoic acid
SMILESO=C(OO)C1CCNCC1
InChIInChI=1S/C6H11NO3/c8-6(10-9)5-1-3-7-4-2-5/h5,7,9H,1-4H2
InChIKeyXBJDBGNLQSHQFJ-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.00
Rot. Bonds1

About piperidine-4-carboperoxoic acid

piperidine-4-carboperoxoic acid (PubChem CID 19094880) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is piperidine-4-carboperoxoic acid.

Molecular Properties

Compound Namepiperidine-4-carboperoxoic acid
PubChem CID19094880
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namepiperidine-4-carboperoxoic acid
SMILESO=C(OO)C1CCNCC1
InChIInChI=1S/C6H11NO3/c8-6(10-9)5-1-3-7-4-2-5/h5,7,9H,1-4H2
InChIKeyXBJDBGNLQSHQFJ-UHFFFAOYSA-N
XLogP0.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

methyl piperidine-4-carboxylate;hydrochloride
CID 18783829
cyclooctanecarboperoxoic acid
CID 90238548
2-oxo-2-piperidin-4-ylacetyl fluoride
CID 145256764
methyl cyclohexanecarboxylate;methyl piperidine-4-carboxylate
CID 158261910
piperidin-4-ylmethyl piperidine-4-carboxylate
CID 162440838
methylsulfonyl piperidine-4-carboxylate
CID 87607716
methyl (4R)-azepane-4-carboxylate
CID 45090253
(2-hydroxyphenyl) piperidine-4-carboxylate
CID 117125932
1-piperidin-4-ylethanone
CID 2723764
dipiperidin-4-yl carbonate
CID 129132812
piperidine-4-carboxamide;trihydrochloride
CID 141114926
(3,5-dimethoxyphenyl) piperidine-4-carboxylate
CID 94276991

Frequently Asked Questions

What is the IUPAC name of piperidine-4-carboperoxoic acid?
The IUPAC name of piperidine-4-carboperoxoic acid (CID 19094880) is piperidine-4-carboperoxoic acid.
What is the SMILES notation for piperidine-4-carboperoxoic acid?
The canonical SMILES for piperidine-4-carboperoxoic acid is O=C(OO)C1CCNCC1.
What is the InChIKey of piperidine-4-carboperoxoic acid?
The InChIKey is XBJDBGNLQSHQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c8-6(10-9)5-1-3-7-4-2-5/h5,7,9H,1-4H2.
What are the key properties of piperidine-4-carboperoxoic acid?
piperidine-4-carboperoxoic acid has a molecular weight of 145.16 g/mol, XLogP of 0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-4-carboperoxoic acid is sourced from PubChem (CID 19094880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).