3-(2-fluoro-4-methylpent-3-en-2-yl)piperidine

C11H20FN — CID 112564816

IUPAC3-(2-fluoro-4-methylpent-3-en-2-yl)piperidine
SMILESCC(C)=CC(C)(F)C1CCCNC1
InChIInChI=1S/C11H20FN/c1-9(2)7-11(3,12)10-5-4-6-13-8-10/h7,10,13H,4-6,8H2,1-3H3
InChIKeyABKGTUJOXGRUDL-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.68
Rot. Bonds2

About 3-(2-fluoro-4-methylpent-3-en-2-yl)piperidine

3-(2-fluoro-4-methylpent-3-en-2-yl)piperidine (PubChem CID 112564816) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylpent-3-en-2-yl)piperidine.

Molecular Properties

Compound Name3-(2-fluoro-4-methylpent-3-en-2-yl)piperidine
PubChem CID112564816
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name3-(2-fluoro-4-methylpent-3-en-2-yl)piperidine
SMILESCC(C)=CC(C)(F)C1CCCNC1
InChIInChI=1S/C11H20FN/c1-9(2)7-11(3,12)10-5-4-6-13-8-10/h7,10,13H,4-6,8H2,1-3H3
InChIKeyABKGTUJOXGRUDL-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.68
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

N-methyl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanamine
CID 2855350
(3,7-Dimethyloct-6-en-1-yl)(methyl)amine
CID 22251448
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propylbutan-1-amine
CID 24850676
Hexahydro-cyclopenta(c)pyridine
CID 69895823
[(2,6-Dimethylcyclohex-2-en-1-yl)methyl](methyl)amine
CID 130645649
[(2,4-Dimethylcyclohex-3-en-1-yl)methyl](methyl)amine
CID 177798578
Pyridine, 1,2,3,6-tetrahydro-4-(4-piperidinyl)-
CID 5231471
2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridine
CID 67757833
6-(Trifluoromethyl)-11-azabicyclo[7.3.1]trideca-2,4,6-triene
CID 69530943
(3S,5R)-5-[(1R,5R)-5-fluorocyclohex-2-en-1-yl]-2-methyl-3-[(Z)-prop-1-enyl]piperidine
CID 71165840
4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine
CID 89162763
4-(4-Fluorocyclohexen-1-yl)piperidine
CID 89168221

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methylpent-3-en-2-yl)piperidine?
The IUPAC name of 3-(2-fluoro-4-methylpent-3-en-2-yl)piperidine (CID 112564816) is 3-(2-fluoro-4-methylpent-3-en-2-yl)piperidine.
What is the SMILES notation for 3-(2-fluoro-4-methylpent-3-en-2-yl)piperidine?
The canonical SMILES for 3-(2-fluoro-4-methylpent-3-en-2-yl)piperidine is CC(C)=CC(C)(F)C1CCCNC1.
What is the InChIKey of 3-(2-fluoro-4-methylpent-3-en-2-yl)piperidine?
The InChIKey is ABKGTUJOXGRUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-9(2)7-11(3,12)10-5-4-6-13-8-10/h7,10,13H,4-6,8H2,1-3H3.
What are the key properties of 3-(2-fluoro-4-methylpent-3-en-2-yl)piperidine?
3-(2-fluoro-4-methylpent-3-en-2-yl)piperidine has a molecular weight of 185.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methylpent-3-en-2-yl)piperidine is sourced from PubChem (CID 112564816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).