3-fluoro-1-methyl-3-prop-1-en-2-ylpiperidine

C9H16FN — CID 177187453

IUPAC3-fluoro-1-methyl-3-prop-1-en-2-ylpiperidine
SMILESC=C(C)C1(F)CCCN(C)C1
InChIInChI=1S/C9H16FN/c1-8(2)9(10)5-4-6-11(3)7-9/h1,4-7H2,2-3H3
InChIKeyGDGFAWGLQODOCH-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.00
Rot. Bonds1

About 3-fluoro-1-methyl-3-prop-1-en-2-ylpiperidine

3-fluoro-1-methyl-3-prop-1-en-2-ylpiperidine (PubChem CID 177187453) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 3-fluoro-1-methyl-3-prop-1-en-2-ylpiperidine.

Molecular Properties

Compound Name3-fluoro-1-methyl-3-prop-1-en-2-ylpiperidine
PubChem CID177187453
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name3-fluoro-1-methyl-3-prop-1-en-2-ylpiperidine
SMILESC=C(C)C1(F)CCCN(C)C1
InChIInChI=1S/C9H16FN/c1-8(2)9(10)5-4-6-11(3)7-9/h1,4-7H2,2-3H3
InChIKeyGDGFAWGLQODOCH-UHFFFAOYSA-N
XLogP2.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(2,2-dimethylpropyl)-3-fluoro-3-prop-2-enylpiperidine
CID 135010029
1-(3,7-Dimethyloct-6-en-1-yl)piperidine
CID 3592771
1-(4-Fluorobutyl)-4-prop-1-en-2-ylpiperidine
CID 89140664
1-Ethyl-4-(1-fluoroethenyl)piperidine
CID 91012854
4-Ethenyl-1-ethyl-4-fluoropiperidine
CID 123282672
3-Fluoro-1-methyl-3-prop-2-enylpiperidine
CID 129044070
4-fluoro-1-methyl-4-[(2E,5Z)-6-methylnona-2,5-dien-2-yl]piperidine
CID 130216521
4-(5-Fluoro-4-methylidenehexa-1,5-dien-2-yl)-1-methylpiperidine
CID 134365582
4-[(3E,5E)-6-fluorohepta-3,5-dien-3-yl]-1-methylpiperidine
CID 134365607
4-[(E)-5-fluorohept-2-en-2-yl]-1-methylpiperidine
CID 134365732
1-(1,2-Difluoro-2,3-dimethylbut-3-enyl)piperidine
CID 134531058
3,5-Dimethyl-1-(1,2,2-trifluoro-3-methylbut-3-enyl)piperidine
CID 134531065

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methyl-3-prop-1-en-2-ylpiperidine?
The IUPAC name of 3-fluoro-1-methyl-3-prop-1-en-2-ylpiperidine (CID 177187453) is 3-fluoro-1-methyl-3-prop-1-en-2-ylpiperidine.
What is the SMILES notation for 3-fluoro-1-methyl-3-prop-1-en-2-ylpiperidine?
The canonical SMILES for 3-fluoro-1-methyl-3-prop-1-en-2-ylpiperidine is C=C(C)C1(F)CCCN(C)C1.
What is the InChIKey of 3-fluoro-1-methyl-3-prop-1-en-2-ylpiperidine?
The InChIKey is GDGFAWGLQODOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-8(2)9(10)5-4-6-11(3)7-9/h1,4-7H2,2-3H3.
What are the key properties of 3-fluoro-1-methyl-3-prop-1-en-2-ylpiperidine?
3-fluoro-1-methyl-3-prop-1-en-2-ylpiperidine has a molecular weight of 157.23 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-3-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 177187453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).