methyl 4-phenylmethoxyiminopiperidine-1-carboxylate

C14H18N2O3 — CID 71890754

IUPACmethyl 4-phenylmethoxyiminopiperidine-1-carboxylate
SMILESCOC(=O)N1CCC(=NOCc2ccccc2)CC1
InChIInChI=1S/C14H18N2O3/c1-18-14(17)16-9-7-13(8-10-16)15-19-11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChIKeyCAWUOUANAPXXOV-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.42
Rot. Bonds3

About methyl 4-phenylmethoxyiminopiperidine-1-carboxylate

methyl 4-phenylmethoxyiminopiperidine-1-carboxylate (PubChem CID 71890754) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 4-phenylmethoxyiminopiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-phenylmethoxyiminopiperidine-1-carboxylate
PubChem CID71890754
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl 4-phenylmethoxyiminopiperidine-1-carboxylate
SMILESCOC(=O)N1CCC(=NOCc2ccccc2)CC1
InChIInChI=1S/C14H18N2O3/c1-18-14(17)16-9-7-13(8-10-16)15-19-11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChIKeyCAWUOUANAPXXOV-UHFFFAOYSA-N
XLogP2.42
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 methyl 4-phenylmethoxyiminopiperidine-1-carboxylate?
The IUPAC name of methyl 4-phenylmethoxyiminopiperidine-1-carboxylate (CID 71890754) is methyl 4-phenylmethoxyiminopiperidine-1-carboxylate.
What is the SMILES notation for methyl 4-phenylmethoxyiminopiperidine-1-carboxylate?
The canonical SMILES for methyl 4-phenylmethoxyiminopiperidine-1-carboxylate is COC(=O)N1CCC(=NOCc2ccccc2)CC1.
What is the InChIKey of methyl 4-phenylmethoxyiminopiperidine-1-carboxylate?
The InChIKey is CAWUOUANAPXXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-18-14(17)16-9-7-13(8-10-16)15-19-11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3.
What are the key properties of methyl 4-phenylmethoxyiminopiperidine-1-carboxylate?
methyl 4-phenylmethoxyiminopiperidine-1-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-phenylmethoxyiminopiperidine-1-carboxylate is sourced from PubChem (CID 71890754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).