3-(2-fluorobut-3-en-2-yl)piperidine

C9H16FN — CID 112564785

IUPAC3-(2-fluorobut-3-en-2-yl)piperidine
SMILESC=CC(C)(F)C1CCCNC1
InChIInChI=1S/C9H16FN/c1-3-9(2,10)8-5-4-6-11-7-8/h3,8,11H,1,4-7H2,2H3
InChIKeyIBQPDDFQCVEFDB-UHFFFAOYSA-N
MW157.23 g/mol
LogP1.90
Rot. Bonds2

About 3-(2-fluorobut-3-en-2-yl)piperidine

3-(2-fluorobut-3-en-2-yl)piperidine (PubChem CID 112564785) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 3-(2-fluorobut-3-en-2-yl)piperidine.

Molecular Properties

Compound Name3-(2-fluorobut-3-en-2-yl)piperidine
PubChem CID112564785
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name3-(2-fluorobut-3-en-2-yl)piperidine
SMILESC=CC(C)(F)C1CCCNC1
InChIInChI=1S/C9H16FN/c1-3-9(2,10)8-5-4-6-11-7-8/h3,8,11H,1,4-7H2,2H3
InChIKeyIBQPDDFQCVEFDB-UHFFFAOYSA-N
XLogP1.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.90
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

3-(1-cyclopropyl-1-fluoroethyl)piperidine
CID 112564879
(3R)-3-tert-butylpiperidine
CID 59772800
(2R)-2-fluoro-2-[(3S)-piperidin-3-yl]propan-1-ol
CID 171842824
2-fluoro-2-piperidin-3-ylpropan-1-amine
CID 105431462
3-[cyclobutyl(difluoro)methyl]piperidine
CID 105443675
3-(1,1-difluoro-2-methylpropyl)piperidine
CID 83855168
3-(1,1-difluoropropyl)piperidine;hydrochloride
CID 115058466
3-(2-fluoro-1-methoxypropan-2-yl)piperidine
CID 112564846
2-(1-fluoro-1-piperidin-3-ylethyl)piperidine
CID 112565009
2-hydroxy-2-piperidin-3-ylpropanenitrile
CID 173142831
3-[1-(3,5-dimethylphenyl)-1-fluoroethyl]piperidine
CID 112564951
3-(4-ethyl-2-fluorohexan-2-yl)piperidine
CID 112564814

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorobut-3-en-2-yl)piperidine?
The IUPAC name of 3-(2-fluorobut-3-en-2-yl)piperidine (CID 112564785) is 3-(2-fluorobut-3-en-2-yl)piperidine.
What is the SMILES notation for 3-(2-fluorobut-3-en-2-yl)piperidine?
The canonical SMILES for 3-(2-fluorobut-3-en-2-yl)piperidine is C=CC(C)(F)C1CCCNC1.
What is the InChIKey of 3-(2-fluorobut-3-en-2-yl)piperidine?
The InChIKey is IBQPDDFQCVEFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-3-9(2,10)8-5-4-6-11-7-8/h3,8,11H,1,4-7H2,2H3.
What are the key properties of 3-(2-fluorobut-3-en-2-yl)piperidine?
3-(2-fluorobut-3-en-2-yl)piperidine has a molecular weight of 157.23 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorobut-3-en-2-yl)piperidine is sourced from PubChem (CID 112564785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).