3-(4-fluoro-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine

C15H22FN3O — CID 141468633

IUPAC3-(4-fluoro-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine
SMILESNCCCN1CCC(F)CC1=NOCc1ccccc1
InChIInChI=1S/C15H22FN3O/c16-14-7-10-19(9-4-8-17)15(11-14)18-20-12-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,17H2
InChIKeyOUUMLIPDWAJSKJ-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.30
Rot. Bonds6

About 3-(4-fluoro-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine

3-(4-fluoro-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine (PubChem CID 141468633) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-(4-fluoro-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-fluoro-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine
PubChem CID141468633
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name3-(4-fluoro-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine
SMILESNCCCN1CCC(F)CC1=NOCc1ccccc1
InChIInChI=1S/C15H22FN3O/c16-14-7-10-19(9-4-8-17)15(11-14)18-20-12-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,17H2
InChIKeyOUUMLIPDWAJSKJ-UHFFFAOYSA-N
XLogP2.30
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(4-fluoro-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine?
The IUPAC name of 3-(4-fluoro-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine (CID 141468633) is 3-(4-fluoro-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(4-fluoro-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine?
The canonical SMILES for 3-(4-fluoro-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine is NCCCN1CCC(F)CC1=NOCc1ccccc1.
What is the InChIKey of 3-(4-fluoro-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine?
The InChIKey is OUUMLIPDWAJSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c16-14-7-10-19(9-4-8-17)15(11-14)18-20-12-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,17H2.
What are the key properties of 3-(4-fluoro-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine?
3-(4-fluoro-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine has a molecular weight of 279.36 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 141468633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).