piperidine-1-carboperoxoic acid

C6H11NO3 — CID 18434275

IUPACpiperidine-1-carboperoxoic acid
SMILESO=C(OO)N1CCCCC1
InChIInChI=1S/C6H11NO3/c8-6(10-9)7-4-2-1-3-5-7/h9H,1-5H2
InChIKeyKECHVRWIPMIVQQ-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.08
Rot. Bonds

About piperidine-1-carboperoxoic acid

piperidine-1-carboperoxoic acid (PubChem CID 18434275) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is piperidine-1-carboperoxoic acid.

Molecular Properties

Compound Namepiperidine-1-carboperoxoic acid
PubChem CID18434275
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namepiperidine-1-carboperoxoic acid
SMILESO=C(OO)N1CCCCC1
InChIInChI=1S/C6H11NO3/c8-6(10-9)7-4-2-1-3-5-7/h9H,1-5H2
InChIKeyKECHVRWIPMIVQQ-UHFFFAOYSA-N
XLogP1.08
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

carboxy piperidine-1-carboxylate
CID 154126035
ethyl azacycloundecane-1-carboxylate
CID 67670496
fluoromethyl piperidine-1-carboxylate
CID 141168732
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
2-aminoethyl piperidine-1-carboxylate
CID 58684414
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
propanoyl piperidine-1-carboxylate
CID 142786690
(cyclopropylmethylamino) piperidine-1-carboxylate
CID 142606376
propyl azepane-1-carboxylate
CID 91585333
3-methylbutan-2-yl piperidine-1-carboxylate
CID 127537756
(2,2,2-trifluoroacetyl) piperidine-1-carboxylate
CID 87291791
prop-2-enyl piperidine-1-carboxylate;hydrochloride
CID 139812322

Frequently Asked Questions

What is the IUPAC name of piperidine-1-carboperoxoic acid?
The IUPAC name of piperidine-1-carboperoxoic acid (CID 18434275) is piperidine-1-carboperoxoic acid.
What is the SMILES notation for piperidine-1-carboperoxoic acid?
The canonical SMILES for piperidine-1-carboperoxoic acid is O=C(OO)N1CCCCC1.
What is the InChIKey of piperidine-1-carboperoxoic acid?
The InChIKey is KECHVRWIPMIVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c8-6(10-9)7-4-2-1-3-5-7/h9H,1-5H2.
What are the key properties of piperidine-1-carboperoxoic acid?
piperidine-1-carboperoxoic acid has a molecular weight of 145.16 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-1-carboperoxoic acid is sourced from PubChem (CID 18434275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).