4-[(E)-(1-methylpiperidin-4-yl)oxyiminomethyl]benzenecarboximidamide

C14H20N4O — CID 46897865

IUPAC4-[(E)-(1-methylpiperidin-4-yl)oxyiminomethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(/C=N/OC2CCN(C)CC2)cc1
InChIInChI=1S/C14H20N4O/c1-18-8-6-13(7-9-18)19-17-10-11-2-4-12(5-3-11)14(15)16/h2-5,10,13H,6-9H2,1H3,(H3,15,16)/b17-10+
InChIKeyFNLKRNACHKABQI-LICLKQGHSA-N
MW260.34 g/mol
LogP1.42
Rot. Bonds4

About 4-[(E)-(1-methylpiperidin-4-yl)oxyiminomethyl]benzenecarboximidamide

4-[(E)-(1-methylpiperidin-4-yl)oxyiminomethyl]benzenecarboximidamide (PubChem CID 46897865) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[(E)-(1-methylpiperidin-4-yl)oxyiminomethyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(E)-(1-methylpiperidin-4-yl)oxyiminomethyl]benzenecarboximidamide
PubChem CID46897865
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-[(E)-(1-methylpiperidin-4-yl)oxyiminomethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(/C=N/OC2CCN(C)CC2)cc1
InChIInChI=1S/C14H20N4O/c1-18-8-6-13(7-9-18)19-17-10-11-2-4-12(5-3-11)14(15)16/h2-5,10,13H,6-9H2,1H3,(H3,15,16)/b17-10+
InChIKeyFNLKRNACHKABQI-LICLKQGHSA-N
XLogP1.42
TPSA74.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 82799029
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 63236757
4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide
CID 103534085
3-chloro-4-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide
CID 63087384
2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide;hydrochloride
CID 82240674
3-methyl-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 107110675
2-chloro-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 55154725
2-bromo-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 107279600
(E)-N-(1-methylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine
CID 71653279
4-amino-3-[3-chloro-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidoyl]benzaldehyde
CID 134567323
4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide
CID 82696529
4-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]benzenecarboximidamide
CID 61301165

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(1-methylpiperidin-4-yl)oxyiminomethyl]benzenecarboximidamide?
The IUPAC name of 4-[(E)-(1-methylpiperidin-4-yl)oxyiminomethyl]benzenecarboximidamide (CID 46897865) is 4-[(E)-(1-methylpiperidin-4-yl)oxyiminomethyl]benzenecarboximidamide.
What is the SMILES notation for 4-[(E)-(1-methylpiperidin-4-yl)oxyiminomethyl]benzenecarboximidamide?
The canonical SMILES for 4-[(E)-(1-methylpiperidin-4-yl)oxyiminomethyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(/C=N/OC2CCN(C)CC2)cc1.
What is the InChIKey of 4-[(E)-(1-methylpiperidin-4-yl)oxyiminomethyl]benzenecarboximidamide?
The InChIKey is FNLKRNACHKABQI-LICLKQGHSA-N. The full InChI is InChI=1S/C14H20N4O/c1-18-8-6-13(7-9-18)19-17-10-11-2-4-12(5-3-11)14(15)16/h2-5,10,13H,6-9H2,1H3,(H3,15,16)/b17-10+.
What are the key properties of 4-[(E)-(1-methylpiperidin-4-yl)oxyiminomethyl]benzenecarboximidamide?
4-[(E)-(1-methylpiperidin-4-yl)oxyiminomethyl]benzenecarboximidamide has a molecular weight of 260.34 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(1-methylpiperidin-4-yl)oxyiminomethyl]benzenecarboximidamide is sourced from PubChem (CID 46897865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).