methyl (2E)-2-methoxyimino-2-[2-(piperidin-1-ylmethyl)phenyl]acetate

C16H22N2O3 — CID 10891589

IUPACmethyl (2E)-2-methoxyimino-2-[2-(piperidin-1-ylmethyl)phenyl]acetate
SMILESCO/N=C(/C(=O)OC)c1ccccc1CN1CCCCC1
InChIInChI=1S/C16H22N2O3/c1-20-16(19)15(17-21-2)14-9-5-4-8-13(14)12-18-10-6-3-7-11-18/h4-5,8-9H,3,6-7,10-12H2,1-2H3/b17-15+
InChIKeyGCPSQVILMZGVLV-BMRADRMJSA-N
MW290.36 g/mol
LogP2.20
Rot. Bonds5

About methyl (2E)-2-methoxyimino-2-[2-(piperidin-1-ylmethyl)phenyl]acetate

methyl (2E)-2-methoxyimino-2-[2-(piperidin-1-ylmethyl)phenyl]acetate (PubChem CID 10891589) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl (2E)-2-methoxyimino-2-[2-(piperidin-1-ylmethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl (2E)-2-methoxyimino-2-[2-(piperidin-1-ylmethyl)phenyl]acetate
PubChem CID10891589
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl (2E)-2-methoxyimino-2-[2-(piperidin-1-ylmethyl)phenyl]acetate
SMILESCO/N=C(/C(=O)OC)c1ccccc1CN1CCCCC1
InChIInChI=1S/C16H22N2O3/c1-20-16(19)15(17-21-2)14-9-5-4-8-13(14)12-18-10-6-3-7-11-18/h4-5,8-9H,3,6-7,10-12H2,1-2H3/b17-15+
InChIKeyGCPSQVILMZGVLV-BMRADRMJSA-N
XLogP2.20
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-methoxyimino-2-[2-(piperidin-1-ylmethyl)phenyl]acetate?
The IUPAC name of methyl (2E)-2-methoxyimino-2-[2-(piperidin-1-ylmethyl)phenyl]acetate (CID 10891589) is methyl (2E)-2-methoxyimino-2-[2-(piperidin-1-ylmethyl)phenyl]acetate.
What is the SMILES notation for methyl (2E)-2-methoxyimino-2-[2-(piperidin-1-ylmethyl)phenyl]acetate?
The canonical SMILES for methyl (2E)-2-methoxyimino-2-[2-(piperidin-1-ylmethyl)phenyl]acetate is CO/N=C(/C(=O)OC)c1ccccc1CN1CCCCC1.
What is the InChIKey of methyl (2E)-2-methoxyimino-2-[2-(piperidin-1-ylmethyl)phenyl]acetate?
The InChIKey is GCPSQVILMZGVLV-BMRADRMJSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-20-16(19)15(17-21-2)14-9-5-4-8-13(14)12-18-10-6-3-7-11-18/h4-5,8-9H,3,6-7,10-12H2,1-2H3/b17-15+.
What are the key properties of methyl (2E)-2-methoxyimino-2-[2-(piperidin-1-ylmethyl)phenyl]acetate?
methyl (2E)-2-methoxyimino-2-[2-(piperidin-1-ylmethyl)phenyl]acetate has a molecular weight of 290.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-methoxyimino-2-[2-(piperidin-1-ylmethyl)phenyl]acetate is sourced from PubChem (CID 10891589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).