4-but-3-enoxy-1-fluoropiperidine

C9H16FNO — CID 142009480

IUPAC4-but-3-enoxy-1-fluoropiperidine
SMILESC=CCCOC1CCN(F)CC1
InChIInChI=1S/C9H16FNO/c1-2-3-8-12-9-4-6-11(10)7-5-9/h2,9H,1,3-8H2
InChIKeyPPSAOXXQHFSYDL-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.93
Rot. Bonds4

About 4-but-3-enoxy-1-fluoropiperidine

4-but-3-enoxy-1-fluoropiperidine (PubChem CID 142009480) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 4-but-3-enoxy-1-fluoropiperidine.

Molecular Properties

Compound Name4-but-3-enoxy-1-fluoropiperidine
PubChem CID142009480
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name4-but-3-enoxy-1-fluoropiperidine
SMILESC=CCCOC1CCN(F)CC1
InChIInChI=1S/C9H16FNO/c1-2-3-8-12-9-4-6-11(10)7-5-9/h2,9H,1,3-8H2
InChIKeyPPSAOXXQHFSYDL-UHFFFAOYSA-N
XLogP1.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-but-3-enoxy-1-fluoropiperidine?
The IUPAC name of 4-but-3-enoxy-1-fluoropiperidine (CID 142009480) is 4-but-3-enoxy-1-fluoropiperidine.
What is the SMILES notation for 4-but-3-enoxy-1-fluoropiperidine?
The canonical SMILES for 4-but-3-enoxy-1-fluoropiperidine is C=CCCOC1CCN(F)CC1.
What is the InChIKey of 4-but-3-enoxy-1-fluoropiperidine?
The InChIKey is PPSAOXXQHFSYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-2-3-8-12-9-4-6-11(10)7-5-9/h2,9H,1,3-8H2.
What are the key properties of 4-but-3-enoxy-1-fluoropiperidine?
4-but-3-enoxy-1-fluoropiperidine has a molecular weight of 173.23 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enoxy-1-fluoropiperidine is sourced from PubChem (CID 142009480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).