2-[(E)-[1-(4-fluorophenyl)-4-piperidin-1-ylbutylidene]amino]oxyethanamine

C17H26FN3O — CID 10662526

IUPAC2-[(E)-[1-(4-fluorophenyl)-4-piperidin-1-ylbutylidene]amino]oxyethanamine
SMILESNCCO/N=C(\CCCN1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H26FN3O/c18-16-8-6-15(7-9-16)17(20-22-14-10-19)5-4-13-21-11-2-1-3-12-21/h6-9H,1-5,10-14,19H2/b20-17+
InChIKeySREVKTQZSLHMBQ-LVZFUZTISA-N
MW307.41 g/mol
LogP2.77
Rot. Bonds8

About 2-[(E)-[1-(4-fluorophenyl)-4-piperidin-1-ylbutylidene]amino]oxyethanamine

2-[(E)-[1-(4-fluorophenyl)-4-piperidin-1-ylbutylidene]amino]oxyethanamine (PubChem CID 10662526) has the molecular formula C17H26FN3O and a molecular weight of 307.41 g/mol. Its IUPAC name is 2-[(E)-[1-(4-fluorophenyl)-4-piperidin-1-ylbutylidene]amino]oxyethanamine.

Molecular Properties

Compound Name2-[(E)-[1-(4-fluorophenyl)-4-piperidin-1-ylbutylidene]amino]oxyethanamine
PubChem CID10662526
Molecular FormulaC17H26FN3O
Molecular Weight307.41 g/mol
Exact Mass307.21
IUPAC Name2-[(E)-[1-(4-fluorophenyl)-4-piperidin-1-ylbutylidene]amino]oxyethanamine
SMILESNCCO/N=C(\CCCN1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H26FN3O/c18-16-8-6-15(7-9-16)17(20-22-14-10-19)5-4-13-21-11-2-1-3-12-21/h6-9H,1-5,10-14,19H2/b20-17+
InChIKeySREVKTQZSLHMBQ-LVZFUZTISA-N
XLogP2.77
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-[(E)-[1-(4-fluorophenyl)-4-piperidin-1-ylbutylidene]amino]oxyethanamine?
The IUPAC name of 2-[(E)-[1-(4-fluorophenyl)-4-piperidin-1-ylbutylidene]amino]oxyethanamine (CID 10662526) is 2-[(E)-[1-(4-fluorophenyl)-4-piperidin-1-ylbutylidene]amino]oxyethanamine.
What is the SMILES notation for 2-[(E)-[1-(4-fluorophenyl)-4-piperidin-1-ylbutylidene]amino]oxyethanamine?
The canonical SMILES for 2-[(E)-[1-(4-fluorophenyl)-4-piperidin-1-ylbutylidene]amino]oxyethanamine is NCCO/N=C(\CCCN1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of 2-[(E)-[1-(4-fluorophenyl)-4-piperidin-1-ylbutylidene]amino]oxyethanamine?
The InChIKey is SREVKTQZSLHMBQ-LVZFUZTISA-N. The full InChI is InChI=1S/C17H26FN3O/c18-16-8-6-15(7-9-16)17(20-22-14-10-19)5-4-13-21-11-2-1-3-12-21/h6-9H,1-5,10-14,19H2/b20-17+.
What are the key properties of 2-[(E)-[1-(4-fluorophenyl)-4-piperidin-1-ylbutylidene]amino]oxyethanamine?
2-[(E)-[1-(4-fluorophenyl)-4-piperidin-1-ylbutylidene]amino]oxyethanamine has a molecular weight of 307.41 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[1-(4-fluorophenyl)-4-piperidin-1-ylbutylidene]amino]oxyethanamine is sourced from PubChem (CID 10662526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).