benzyl 4-hydroxyiminopiperidine-1-carboxylate

C13H16N2O3 — CID 20785215

IUPACbenzyl 4-hydroxyiminopiperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(=NO)CC1
InChIInChI=1S/C13H16N2O3/c16-13(15-8-6-12(14-17)7-9-15)18-10-11-4-2-1-3-5-11/h1-5,17H,6-10H2
InChIKeyQLPDVNXXKAOJQM-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.25
Rot. Bonds2

About benzyl 4-hydroxyiminopiperidine-1-carboxylate

benzyl 4-hydroxyiminopiperidine-1-carboxylate (PubChem CID 20785215) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is benzyl 4-hydroxyiminopiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-hydroxyiminopiperidine-1-carboxylate
PubChem CID20785215
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namebenzyl 4-hydroxyiminopiperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(=NO)CC1
InChIInChI=1S/C13H16N2O3/c16-13(15-8-6-12(14-17)7-9-15)18-10-11-4-2-1-3-5-11/h1-5,17H,6-10H2
InChIKeyQLPDVNXXKAOJQM-UHFFFAOYSA-N
XLogP2.25
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-hydroxyiminopiperidine-1-carboxylate?
The IUPAC name of benzyl 4-hydroxyiminopiperidine-1-carboxylate (CID 20785215) is benzyl 4-hydroxyiminopiperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-hydroxyiminopiperidine-1-carboxylate?
The canonical SMILES for benzyl 4-hydroxyiminopiperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(=NO)CC1.
What is the InChIKey of benzyl 4-hydroxyiminopiperidine-1-carboxylate?
The InChIKey is QLPDVNXXKAOJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-13(15-8-6-12(14-17)7-9-15)18-10-11-4-2-1-3-5-11/h1-5,17H,6-10H2.
What are the key properties of benzyl 4-hydroxyiminopiperidine-1-carboxylate?
benzyl 4-hydroxyiminopiperidine-1-carboxylate has a molecular weight of 248.28 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-hydroxyiminopiperidine-1-carboxylate is sourced from PubChem (CID 20785215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).