3-fluoro-4-methoxy-3-prop-2-enylpiperidine

C9H16FNO — CID 170563821

IUPAC3-fluoro-4-methoxy-3-prop-2-enylpiperidine
SMILESC=CCC1(F)CNCCC1OC
InChIInChI=1S/C9H16FNO/c1-3-5-9(10)7-11-6-4-8(9)12-2/h3,8,11H,1,4-7H2,2H3
InChIKeyXWPOZRDTCOOUAV-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.28
Rot. Bonds3

About 3-fluoro-4-methoxy-3-prop-2-enylpiperidine

3-fluoro-4-methoxy-3-prop-2-enylpiperidine (PubChem CID 170563821) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-3-prop-2-enylpiperidine.

Molecular Properties

Compound Name3-fluoro-4-methoxy-3-prop-2-enylpiperidine
PubChem CID170563821
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name3-fluoro-4-methoxy-3-prop-2-enylpiperidine
SMILESC=CCC1(F)CNCCC1OC
InChIInChI=1S/C9H16FNO/c1-3-5-9(10)7-11-6-4-8(9)12-2/h3,8,11H,1,4-7H2,2H3
InChIKeyXWPOZRDTCOOUAV-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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Related Compounds

3-Fluoro-3-prop-2-enylpiperidin-4-ol
CID 170563806
3-But-3-enyl-3-fluoropiperidin-4-ol
CID 175499396
(3S,4R)-3-fluoro-4-methoxy-3-prop-2-enylpiperidine
CID 175976941
4-Methoxy-4-(2-methylprop-2-en-1-yl)piperidine
CID 89141975
4-But-3-enyl-4-(3-methylbutan-2-yloxy)piperidine
CID 91487037
(3R,4S)-3-ethenyl-4-methoxypiperidine
CID 129271196
Ethane;2-fluoro-5-methoxy-3-methylhepta-1,6-diene;piperidine
CID 144301857
3-But-3-enyl-4-methoxypiperidine
CID 175499377
3-But-3-en-2-ylpiperidin-4-ol
CID 114451788

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-3-prop-2-enylpiperidine?
The IUPAC name of 3-fluoro-4-methoxy-3-prop-2-enylpiperidine (CID 170563821) is 3-fluoro-4-methoxy-3-prop-2-enylpiperidine.
What is the SMILES notation for 3-fluoro-4-methoxy-3-prop-2-enylpiperidine?
The canonical SMILES for 3-fluoro-4-methoxy-3-prop-2-enylpiperidine is C=CCC1(F)CNCCC1OC.
What is the InChIKey of 3-fluoro-4-methoxy-3-prop-2-enylpiperidine?
The InChIKey is XWPOZRDTCOOUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-3-5-9(10)7-11-6-4-8(9)12-2/h3,8,11H,1,4-7H2,2H3.
What are the key properties of 3-fluoro-4-methoxy-3-prop-2-enylpiperidine?
3-fluoro-4-methoxy-3-prop-2-enylpiperidine 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-4-methoxy-3-prop-2-enylpiperidine is sourced from PubChem (CID 170563821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).