3-piperidin-1-ylpropanoyl fluoride

C8H14FNO — CID 22719501

IUPAC3-piperidin-1-ylpropanoyl fluoride
SMILESO=C(F)CCN1CCCCC1
InChIInChI=1S/C8H14FNO/c9-8(11)4-7-10-5-2-1-3-6-10/h1-7H2
InChIKeyKGMMFVHHRGWVNY-UHFFFAOYSA-N
MW159.20 g/mol
LogP1.36
Rot. Bonds3

About 3-piperidin-1-ylpropanoyl fluoride

3-piperidin-1-ylpropanoyl fluoride (PubChem CID 22719501) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 3-piperidin-1-ylpropanoyl fluoride.

Molecular Properties

Compound Name3-piperidin-1-ylpropanoyl fluoride
PubChem CID22719501
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name3-piperidin-1-ylpropanoyl fluoride
SMILESO=C(F)CCN1CCCCC1
InChIInChI=1S/C8H14FNO/c9-8(11)4-7-10-5-2-1-3-6-10/h1-7H2
InChIKeyKGMMFVHHRGWVNY-UHFFFAOYSA-N
XLogP1.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylpropanoyl fluoride?
The IUPAC name of 3-piperidin-1-ylpropanoyl fluoride (CID 22719501) is 3-piperidin-1-ylpropanoyl fluoride.
What is the SMILES notation for 3-piperidin-1-ylpropanoyl fluoride?
The canonical SMILES for 3-piperidin-1-ylpropanoyl fluoride is O=C(F)CCN1CCCCC1.
What is the InChIKey of 3-piperidin-1-ylpropanoyl fluoride?
The InChIKey is KGMMFVHHRGWVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c9-8(11)4-7-10-5-2-1-3-6-10/h1-7H2.
What are the key properties of 3-piperidin-1-ylpropanoyl fluoride?
3-piperidin-1-ylpropanoyl fluoride has a molecular weight of 159.20 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylpropanoyl fluoride is sourced from PubChem (CID 22719501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).