(E)-1-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)oxymethanimine

C14H20N2O2 — CID 71653710

IUPAC(E)-1-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)oxymethanimine
SMILESCOc1ccccc1/C=N/OC1CCCN(C)C1
InChIInChI=1S/C14H20N2O2/c1-16-9-5-7-13(11-16)18-15-10-12-6-3-4-8-14(12)17-2/h3-4,6,8,10,13H,5,7,9,11H2,1-2H3/b15-10+
InChIKeyKYJDTCBDFAWZCM-XNTDXEJSSA-N
MW248.33 g/mol
LogP2.14
Rot. Bonds4

About (E)-1-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)oxymethanimine

(E)-1-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)oxymethanimine (PubChem CID 71653710) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (E)-1-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)oxymethanimine.

Molecular Properties

Compound Name(E)-1-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)oxymethanimine
PubChem CID71653710
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(E)-1-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)oxymethanimine
SMILESCOc1ccccc1/C=N/OC1CCCN(C)C1
InChIInChI=1S/C14H20N2O2/c1-16-9-5-7-13(11-16)18-15-10-12-6-3-4-8-14(12)17-2/h3-4,6,8,10,13H,5,7,9,11H2,1-2H3/b15-10+
InChIKeyKYJDTCBDFAWZCM-XNTDXEJSSA-N
XLogP2.14
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.14
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 (E)-1-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)oxymethanimine?
The IUPAC name of (E)-1-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)oxymethanimine (CID 71653710) is (E)-1-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)oxymethanimine.
What is the SMILES notation for (E)-1-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)oxymethanimine?
The canonical SMILES for (E)-1-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)oxymethanimine is COc1ccccc1/C=N/OC1CCCN(C)C1.
What is the InChIKey of (E)-1-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)oxymethanimine?
The InChIKey is KYJDTCBDFAWZCM-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16-9-5-7-13(11-16)18-15-10-12-6-3-4-8-14(12)17-2/h3-4,6,8,10,13H,5,7,9,11H2,1-2H3/b15-10+.
What are the key properties of (E)-1-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)oxymethanimine?
(E)-1-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)oxymethanimine has a molecular weight of 248.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)oxymethanimine is sourced from PubChem (CID 71653710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).