(NE)-N-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine

C15H19FN2O2 — CID 114501083

About (NE)-N-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine

(NE)-N-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine (PubChem CID 114501083) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is (NE)-N-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine.

Molecular Properties

• Compound Name: (NE)-N-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine
• PubChem CID: 114501083
• Molecular Formula: C15H19FN2O2
• Molecular Weight: 278.33 g/mol
• Exact Mass: 278.14
• IUPAC Name: (NE)-N-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine
• SMILES: CC1CN(CC2Cc3cc(F)ccc3O2)CC/C1=N\O
• InChI: InChI=1S/C15H19FN2O2/c1-10-8-18(5-4-14(10)17-19)9-13-7-11-6-12(16)2-3-15(11)20-13/h2-3,6,10,13,19H,4-5,7-9H2,1H3/b17-14+
• InChIKey: NKRTVJXVPSJAPE-SAPNQHFASA-N
• XLogP: 2.30
• TPSA: 45.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	278.33
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine?

The IUPAC name of (NE)-N-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine (CID 114501083) is (NE)-N-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine.

What is the SMILES notation for (NE)-N-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine?

The canonical SMILES for (NE)-N-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine is CC1CN(CC2Cc3cc(F)ccc3O2)CC/C1=N\O.

What is the InChIKey of (NE)-N-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine?

The InChIKey is NKRTVJXVPSJAPE-SAPNQHFASA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-10-8-18(5-4-14(10)17-19)9-13-7-11-6-12(16)2-3-15(11)20-13/h2-3,6,10,13,19H,4-5,7-9H2,1H3/b17-14+.

What are the key properties of (NE)-N-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine?

(NE)-N-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine has a molecular weight of 278.33 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (NE)-N-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 114501083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).