2-fluoro-6-methyl-3-[(E)-prop-1-enyl]piperidine

C9H16FN — CID 163853910

IUPAC2-fluoro-6-methyl-3-[(E)-prop-1-enyl]piperidine
SMILESC/C=C/C1CCC(C)NC1F
InChIInChI=1S/C9H16FN/c1-3-4-8-6-5-7(2)11-9(8)10/h3-4,7-9,11H,5-6H2,1-2H3/b4-3+
InChIKeyOWRMIFJSCUSGBM-ONEGZZNKSA-N
MW157.23 g/mol
LogP2.25
Rot. Bonds1

About 2-fluoro-6-methyl-3-[(E)-prop-1-enyl]piperidine

2-fluoro-6-methyl-3-[(E)-prop-1-enyl]piperidine (PubChem CID 163853910) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 2-fluoro-6-methyl-3-[(E)-prop-1-enyl]piperidine.

Molecular Properties

Compound Name2-fluoro-6-methyl-3-[(E)-prop-1-enyl]piperidine
PubChem CID163853910
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name2-fluoro-6-methyl-3-[(E)-prop-1-enyl]piperidine
SMILESC/C=C/C1CCC(C)NC1F
InChIInChI=1S/C9H16FN/c1-3-4-8-6-5-7(2)11-9(8)10/h3-4,7-9,11H,5-6H2,1-2H3/b4-3+
InChIKeyOWRMIFJSCUSGBM-ONEGZZNKSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R,6R)-2-Methyl-6-(1E)-1-propen-1-ylpiperidine
CID 5281689
2-Azabicyclo(2.2.2)oct-5-ene
CID 138007
2-Methyl-6-prop-1-enylpiperidine
CID 580067
3-Cyclohexene-1-methylamine, N-cyclopropyl-
CID 204181
2-Methyl-6-(prop-2-enyl)piperidine (pinidine)
CID 5320605
6-fluoro-2,6-dimethyl-2,3,4,8a-tetrahydro-1H-quinoline
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N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70311004
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
(3S,5R)-5-[(1R,5R)-5-fluorocyclohex-2-en-1-yl]-2-methyl-3-[(Z)-prop-1-enyl]piperidine
CID 71165840
4-[(E)-1-fluorohex-3-en-3-yl]piperidine
CID 89168225
(Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine
CID 90261572
6-(1,1-Difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 118357208

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-3-[(E)-prop-1-enyl]piperidine?
The IUPAC name of 2-fluoro-6-methyl-3-[(E)-prop-1-enyl]piperidine (CID 163853910) is 2-fluoro-6-methyl-3-[(E)-prop-1-enyl]piperidine.
What is the SMILES notation for 2-fluoro-6-methyl-3-[(E)-prop-1-enyl]piperidine?
The canonical SMILES for 2-fluoro-6-methyl-3-[(E)-prop-1-enyl]piperidine is C/C=C/C1CCC(C)NC1F.
What is the InChIKey of 2-fluoro-6-methyl-3-[(E)-prop-1-enyl]piperidine?
The InChIKey is OWRMIFJSCUSGBM-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H16FN/c1-3-4-8-6-5-7(2)11-9(8)10/h3-4,7-9,11H,5-6H2,1-2H3/b4-3+.
What are the key properties of 2-fluoro-6-methyl-3-[(E)-prop-1-enyl]piperidine?
2-fluoro-6-methyl-3-[(E)-prop-1-enyl]piperidine has a molecular weight of 157.23 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-3-[(E)-prop-1-enyl]piperidine is sourced from PubChem (CID 163853910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).