1-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-2-pentoxyethanone

C16H24FN3O2 — CID 126799742

IUPAC1-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-2-pentoxyethanone
SMILESCCCCCOCC(=O)N1CCN(c2ccc(F)cn2)CC1
InChIInChI=1S/C16H24FN3O2/c1-2-3-4-11-22-13-16(21)20-9-7-19(8-10-20)15-6-5-14(17)12-18-15/h5-6,12H,2-4,7-11,13H2,1H3
InChIKeyRQFQBMWJILFQSN-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.08
Rot. Bonds7

About 1-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-2-pentoxyethanone

1-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-2-pentoxyethanone (PubChem CID 126799742) has the molecular formula C16H24FN3O2 and a molecular weight of 309.38 g/mol. Its IUPAC name is 1-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-2-pentoxyethanone.

Molecular Properties

Compound Name1-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-2-pentoxyethanone
PubChem CID126799742
Molecular FormulaC16H24FN3O2
Molecular Weight309.38 g/mol
Exact Mass309.19
IUPAC Name1-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-2-pentoxyethanone
SMILESCCCCCOCC(=O)N1CCN(c2ccc(F)cn2)CC1
InChIInChI=1S/C16H24FN3O2/c1-2-3-4-11-22-13-16(21)20-9-7-19(8-10-20)15-6-5-14(17)12-18-15/h5-6,12H,2-4,7-11,13H2,1H3
InChIKeyRQFQBMWJILFQSN-UHFFFAOYSA-N
XLogP2.08
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-2-pentoxyethanone?
The IUPAC name of 1-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-2-pentoxyethanone (CID 126799742) is 1-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-2-pentoxyethanone.
What is the SMILES notation for 1-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-2-pentoxyethanone?
The canonical SMILES for 1-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-2-pentoxyethanone is CCCCCOCC(=O)N1CCN(c2ccc(F)cn2)CC1.
What is the InChIKey of 1-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-2-pentoxyethanone?
The InChIKey is RQFQBMWJILFQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2/c1-2-3-4-11-22-13-16(21)20-9-7-19(8-10-20)15-6-5-14(17)12-18-15/h5-6,12H,2-4,7-11,13H2,1H3.
What are the key properties of 1-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-2-pentoxyethanone?
1-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-2-pentoxyethanone has a molecular weight of 309.38 g/mol, XLogP of 2.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-2-pentoxyethanone is sourced from PubChem (CID 126799742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).