4-but-3-enyl-4-fluoropiperidine

C9H16FN — CID 147528951

IUPAC4-but-3-enyl-4-fluoropiperidine
SMILESC=CCCC1(F)CCNCC1
InChIInChI=1S/C9H16FN/c1-2-3-4-9(10)5-7-11-8-6-9/h2,11H,1,3-8H2
InChIKeyFMQFWFADTKANKD-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.04
Rot. Bonds3

About 4-but-3-enyl-4-fluoropiperidine

4-but-3-enyl-4-fluoropiperidine (PubChem CID 147528951) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 4-but-3-enyl-4-fluoropiperidine.

Molecular Properties

Compound Name4-but-3-enyl-4-fluoropiperidine
PubChem CID147528951
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name4-but-3-enyl-4-fluoropiperidine
SMILESC=CCCC1(F)CCNCC1
InChIInChI=1S/C9H16FN/c1-2-3-4-9(10)5-7-11-8-6-9/h2,11H,1,3-8H2
InChIKeyFMQFWFADTKANKD-UHFFFAOYSA-N
XLogP2.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-Diallylpiperidine
CID 1272143
3-(Prop-2-en-1-yl)piperidine
CID 19097419
4-Ethenylpiperidine
CID 421846
2,2-Diallylpiperidine hydrochloride
CID 17386044
(S)-3-Allyl-3-ethylpiperidine
CID 53495113
Di(2 propenyl)piperidine
CID 69724067
3-Vinylpiperidine
CID 10996985
4-[(E)-1-fluorohex-3-en-3-yl]piperidine
CID 89168225
4-Fluoro-4-vinylpiperidine
CID 89216907
(3R)-3-fluoro-3-prop-2-enylpiperidine
CID 89369745
4-(6-Fluoro-6-methylnon-8-enyl)-4-propylpiperidine
CID 91189069
3-Fluoro-3-prop-2-enylpiperidine
CID 112563023

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enyl-4-fluoropiperidine?
The IUPAC name of 4-but-3-enyl-4-fluoropiperidine (CID 147528951) is 4-but-3-enyl-4-fluoropiperidine.
What is the SMILES notation for 4-but-3-enyl-4-fluoropiperidine?
The canonical SMILES for 4-but-3-enyl-4-fluoropiperidine is C=CCCC1(F)CCNCC1.
What is the InChIKey of 4-but-3-enyl-4-fluoropiperidine?
The InChIKey is FMQFWFADTKANKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-2-3-4-9(10)5-7-11-8-6-9/h2,11H,1,3-8H2.
What are the key properties of 4-but-3-enyl-4-fluoropiperidine?
4-but-3-enyl-4-fluoropiperidine has a molecular weight of 157.23 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enyl-4-fluoropiperidine is sourced from PubChem (CID 147528951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).