1-(4-fluoropiperidin-4-yl)hexan-1-one

C11H20FNO — CID 66633547

IUPAC1-(4-fluoropiperidin-4-yl)hexan-1-one
SMILESCCCCCC(=O)C1(F)CCNCC1
InChIInChI=1S/C11H20FNO/c1-2-3-4-5-10(14)11(12)6-8-13-9-7-11/h13H,2-9H2,1H3
InChIKeyZRURMTZKCQDARE-UHFFFAOYSA-N
MW201.28 g/mol
LogP2.23
Rot. Bonds5

About 1-(4-fluoropiperidin-4-yl)hexan-1-one

1-(4-fluoropiperidin-4-yl)hexan-1-one (PubChem CID 66633547) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 1-(4-fluoropiperidin-4-yl)hexan-1-one.

Molecular Properties

Compound Name1-(4-fluoropiperidin-4-yl)hexan-1-one
PubChem CID66633547
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name1-(4-fluoropiperidin-4-yl)hexan-1-one
SMILESCCCCCC(=O)C1(F)CCNCC1
InChIInChI=1S/C11H20FNO/c1-2-3-4-5-10(14)11(12)6-8-13-9-7-11/h13H,2-9H2,1H3
InChIKeyZRURMTZKCQDARE-UHFFFAOYSA-N
XLogP2.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-fluoropiperidin-4-yl)hexan-1-one?
The IUPAC name of 1-(4-fluoropiperidin-4-yl)hexan-1-one (CID 66633547) is 1-(4-fluoropiperidin-4-yl)hexan-1-one.
What is the SMILES notation for 1-(4-fluoropiperidin-4-yl)hexan-1-one?
The canonical SMILES for 1-(4-fluoropiperidin-4-yl)hexan-1-one is CCCCCC(=O)C1(F)CCNCC1.
What is the InChIKey of 1-(4-fluoropiperidin-4-yl)hexan-1-one?
The InChIKey is ZRURMTZKCQDARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c1-2-3-4-5-10(14)11(12)6-8-13-9-7-11/h13H,2-9H2,1H3.
What are the key properties of 1-(4-fluoropiperidin-4-yl)hexan-1-one?
1-(4-fluoropiperidin-4-yl)hexan-1-one has a molecular weight of 201.28 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoropiperidin-4-yl)hexan-1-one is sourced from PubChem (CID 66633547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).