4-(2-fluoroprop-2-enoxy)-1-methylpiperidine

C9H16FNO — CID 129290444

IUPAC4-(2-fluoroprop-2-enoxy)-1-methylpiperidine
SMILESC=C(F)COC1CCN(C)CC1
InChIInChI=1S/C9H16FNO/c1-8(10)7-12-9-3-5-11(2)6-4-9/h9H,1,3-7H2,2H3
InChIKeyJVRMEXLZCIWNQD-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.58
Rot. Bonds3

About 4-(2-fluoroprop-2-enoxy)-1-methylpiperidine

4-(2-fluoroprop-2-enoxy)-1-methylpiperidine (PubChem CID 129290444) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 4-(2-fluoroprop-2-enoxy)-1-methylpiperidine.

Molecular Properties

Compound Name4-(2-fluoroprop-2-enoxy)-1-methylpiperidine
PubChem CID129290444
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name4-(2-fluoroprop-2-enoxy)-1-methylpiperidine
SMILESC=C(F)COC1CCN(C)CC1
InChIInChI=1S/C9H16FNO/c1-8(10)7-12-9-3-5-11(2)6-4-9/h9H,1,3-7H2,2H3
InChIKeyJVRMEXLZCIWNQD-UHFFFAOYSA-N
XLogP1.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroprop-2-enoxy)-1-methylpiperidine?
The IUPAC name of 4-(2-fluoroprop-2-enoxy)-1-methylpiperidine (CID 129290444) is 4-(2-fluoroprop-2-enoxy)-1-methylpiperidine.
What is the SMILES notation for 4-(2-fluoroprop-2-enoxy)-1-methylpiperidine?
The canonical SMILES for 4-(2-fluoroprop-2-enoxy)-1-methylpiperidine is C=C(F)COC1CCN(C)CC1.
What is the InChIKey of 4-(2-fluoroprop-2-enoxy)-1-methylpiperidine?
The InChIKey is JVRMEXLZCIWNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-8(10)7-12-9-3-5-11(2)6-4-9/h9H,1,3-7H2,2H3.
What are the key properties of 4-(2-fluoroprop-2-enoxy)-1-methylpiperidine?
4-(2-fluoroprop-2-enoxy)-1-methylpiperidine has a molecular weight of 173.23 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroprop-2-enoxy)-1-methylpiperidine is sourced from PubChem (CID 129290444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).