3-fluoro-3-(3-methoxyprop-1-en-2-yl)piperidine

C9H16FNO — CID 131140580

IUPAC3-fluoro-3-(3-methoxyprop-1-en-2-yl)piperidine
SMILESC=C(COC)C1(F)CCCNC1
InChIInChI=1S/C9H16FNO/c1-8(6-12-2)9(10)4-3-5-11-7-9/h11H,1,3-7H2,2H3
InChIKeyLPPOSGBUDMAXHK-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.28
Rot. Bonds3

About 3-fluoro-3-(3-methoxyprop-1-en-2-yl)piperidine

3-fluoro-3-(3-methoxyprop-1-en-2-yl)piperidine (PubChem CID 131140580) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 3-fluoro-3-(3-methoxyprop-1-en-2-yl)piperidine.

Molecular Properties

Compound Name3-fluoro-3-(3-methoxyprop-1-en-2-yl)piperidine
PubChem CID131140580
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name3-fluoro-3-(3-methoxyprop-1-en-2-yl)piperidine
SMILESC=C(COC)C1(F)CCCNC1
InChIInChI=1S/C9H16FNO/c1-8(6-12-2)9(10)4-3-5-11-7-9/h11H,1,3-7H2,2H3
InChIKeyLPPOSGBUDMAXHK-UHFFFAOYSA-N
XLogP1.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(3-methoxyprop-1-en-2-yl)piperidine?
The IUPAC name of 3-fluoro-3-(3-methoxyprop-1-en-2-yl)piperidine (CID 131140580) is 3-fluoro-3-(3-methoxyprop-1-en-2-yl)piperidine.
What is the SMILES notation for 3-fluoro-3-(3-methoxyprop-1-en-2-yl)piperidine?
The canonical SMILES for 3-fluoro-3-(3-methoxyprop-1-en-2-yl)piperidine is C=C(COC)C1(F)CCCNC1.
What is the InChIKey of 3-fluoro-3-(3-methoxyprop-1-en-2-yl)piperidine?
The InChIKey is LPPOSGBUDMAXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-8(6-12-2)9(10)4-3-5-11-7-9/h11H,1,3-7H2,2H3.
What are the key properties of 3-fluoro-3-(3-methoxyprop-1-en-2-yl)piperidine?
3-fluoro-3-(3-methoxyprop-1-en-2-yl)piperidine has a molecular weight of 173.23 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(3-methoxyprop-1-en-2-yl)piperidine is sourced from PubChem (CID 131140580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).