[2-[2-(aminomethyl)-4-fluorophenyl]-4-ethoxypiperidin-3-ylidene]methanone

C15H19FN2O2 — CID 174469962

IUPAC[2-[2-(aminomethyl)-4-fluorophenyl]-4-ethoxypiperidin-3-ylidene]methanone
SMILESCCOC1CCNC(c2ccc(F)cc2CN)C1=C=O
InChIInChI=1S/C15H19FN2O2/c1-2-20-14-5-6-18-15(13(14)9-19)12-4-3-11(16)7-10(12)8-17/h3-4,7,14-15,18H,2,5-6,8,17H2,1H3
InChIKeyJIFNHGKOGVGJQO-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.48
Rot. Bonds4

About [2-[2-(aminomethyl)-4-fluorophenyl]-4-ethoxypiperidin-3-ylidene]methanone

[2-[2-(aminomethyl)-4-fluorophenyl]-4-ethoxypiperidin-3-ylidene]methanone (PubChem CID 174469962) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is [2-[2-(aminomethyl)-4-fluorophenyl]-4-ethoxypiperidin-3-ylidene]methanone.

Molecular Properties

Compound Name[2-[2-(aminomethyl)-4-fluorophenyl]-4-ethoxypiperidin-3-ylidene]methanone
PubChem CID174469962
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name[2-[2-(aminomethyl)-4-fluorophenyl]-4-ethoxypiperidin-3-ylidene]methanone
SMILESCCOC1CCNC(c2ccc(F)cc2CN)C1=C=O
InChIInChI=1S/C15H19FN2O2/c1-2-20-14-5-6-18-15(13(14)9-19)12-4-3-11(16)7-10(12)8-17/h3-4,7,14-15,18H,2,5-6,8,17H2,1H3
InChIKeyJIFNHGKOGVGJQO-UHFFFAOYSA-N
XLogP1.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(aminomethyl)-4-fluorophenyl]-4-ethoxypiperidin-3-ylidene]methanone?
The IUPAC name of [2-[2-(aminomethyl)-4-fluorophenyl]-4-ethoxypiperidin-3-ylidene]methanone (CID 174469962) is [2-[2-(aminomethyl)-4-fluorophenyl]-4-ethoxypiperidin-3-ylidene]methanone.
What is the SMILES notation for [2-[2-(aminomethyl)-4-fluorophenyl]-4-ethoxypiperidin-3-ylidene]methanone?
The canonical SMILES for [2-[2-(aminomethyl)-4-fluorophenyl]-4-ethoxypiperidin-3-ylidene]methanone is CCOC1CCNC(c2ccc(F)cc2CN)C1=C=O.
What is the InChIKey of [2-[2-(aminomethyl)-4-fluorophenyl]-4-ethoxypiperidin-3-ylidene]methanone?
The InChIKey is JIFNHGKOGVGJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-2-20-14-5-6-18-15(13(14)9-19)12-4-3-11(16)7-10(12)8-17/h3-4,7,14-15,18H,2,5-6,8,17H2,1H3.
What are the key properties of [2-[2-(aminomethyl)-4-fluorophenyl]-4-ethoxypiperidin-3-ylidene]methanone?
[2-[2-(aminomethyl)-4-fluorophenyl]-4-ethoxypiperidin-3-ylidene]methanone has a molecular weight of 278.33 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(aminomethyl)-4-fluorophenyl]-4-ethoxypiperidin-3-ylidene]methanone is sourced from PubChem (CID 174469962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).