1-[1-(3-fluorophenyl)piperidin-4-ylidene]propan-2-one;methane

C15H20FNO — CID 143717864

IUPAC1-[1-(3-fluorophenyl)piperidin-4-ylidene]propan-2-one;methane
SMILESC.CC(=O)C=C1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C14H16FNO.CH4/c1-11(17)9-12-5-7-16(8-6-12)14-4-2-3-13(15)10-14;/h2-4,9-10H,5-8H2,1H3;1H4
InChIKeyGPEDERHHRHZGIR-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.58
Rot. Bonds2

About 1-[1-(3-fluorophenyl)piperidin-4-ylidene]propan-2-one;methane

1-[1-(3-fluorophenyl)piperidin-4-ylidene]propan-2-one;methane (PubChem CID 143717864) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)piperidin-4-ylidene]propan-2-one;methane.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)piperidin-4-ylidene]propan-2-one;methane
PubChem CID143717864
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name1-[1-(3-fluorophenyl)piperidin-4-ylidene]propan-2-one;methane
SMILESC.CC(=O)C=C1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C14H16FNO.CH4/c1-11(17)9-12-5-7-16(8-6-12)14-4-2-3-13(15)10-14;/h2-4,9-10H,5-8H2,1H3;1H4
InChIKeyGPEDERHHRHZGIR-UHFFFAOYSA-N
XLogP3.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)piperidin-4-ylidene]propan-2-one;methane?
The IUPAC name of 1-[1-(3-fluorophenyl)piperidin-4-ylidene]propan-2-one;methane (CID 143717864) is 1-[1-(3-fluorophenyl)piperidin-4-ylidene]propan-2-one;methane.
What is the SMILES notation for 1-[1-(3-fluorophenyl)piperidin-4-ylidene]propan-2-one;methane?
The canonical SMILES for 1-[1-(3-fluorophenyl)piperidin-4-ylidene]propan-2-one;methane is C.CC(=O)C=C1CCN(c2cccc(F)c2)CC1.
What is the InChIKey of 1-[1-(3-fluorophenyl)piperidin-4-ylidene]propan-2-one;methane?
The InChIKey is GPEDERHHRHZGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO.CH4/c1-11(17)9-12-5-7-16(8-6-12)14-4-2-3-13(15)10-14;/h2-4,9-10H,5-8H2,1H3;1H4.
What are the key properties of 1-[1-(3-fluorophenyl)piperidin-4-ylidene]propan-2-one;methane?
1-[1-(3-fluorophenyl)piperidin-4-ylidene]propan-2-one;methane has a molecular weight of 249.33 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)piperidin-4-ylidene]propan-2-one;methane is sourced from PubChem (CID 143717864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).