4-(5-fluoro-4-methylidenehexa-1,5-dien-2-yl)-1-methylpiperidine

C13H20FN — CID 134365582

IUPAC4-(5-fluoro-4-methylidenehexa-1,5-dien-2-yl)-1-methylpiperidine
SMILESC=C(F)C(=C)CC(=C)C1CCN(C)CC1
InChIInChI=1S/C13H20FN/c1-10(12(3)14)9-11(2)13-5-7-15(4)8-6-13/h13H,1-3,5-9H2,4H3
InChIKeyCEKDZKCMELSEFE-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.31
Rot. Bonds4

About 4-(5-fluoro-4-methylidenehexa-1,5-dien-2-yl)-1-methylpiperidine

4-(5-fluoro-4-methylidenehexa-1,5-dien-2-yl)-1-methylpiperidine (PubChem CID 134365582) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 4-(5-fluoro-4-methylidenehexa-1,5-dien-2-yl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(5-fluoro-4-methylidenehexa-1,5-dien-2-yl)-1-methylpiperidine
PubChem CID134365582
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name4-(5-fluoro-4-methylidenehexa-1,5-dien-2-yl)-1-methylpiperidine
SMILESC=C(F)C(=C)CC(=C)C1CCN(C)CC1
InChIInChI=1S/C13H20FN/c1-10(12(3)14)9-11(2)13-5-7-15(4)8-6-13/h13H,1-3,5-9H2,4H3
InChIKeyCEKDZKCMELSEFE-UHFFFAOYSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(2,2-dimethylpropyl)-3-fluoro-3-prop-2-enylpiperidine
CID 135010029
1-(4-Fluorobutyl)-4-prop-1-en-2-ylpiperidine
CID 89140664
1-Ethyl-4-(1-fluoroethenyl)piperidine
CID 91012854
4-(4-Fluorocyclohexa-1,3-dien-1-yl)-1-methylpiperidine
CID 118422995
1-(8-Fluoro-4,5-dimethylnona-5,7-dienyl)piperidine
CID 123361404
3-Fluoro-1-methyl-3-prop-2-enylpiperidine
CID 129044070
(3R)-3-[(2Z,4E)-4-fluoro-3-methylhepta-2,4,6-trienyl]-1-methylpiperidine
CID 134292242
4-[(3E,5E)-6-fluorohepta-3,5-dien-3-yl]-1-methylpiperidine
CID 134365607
4-[(E)-7-fluorohept-3-en-4-yl]-1-iodopiperidine
CID 134365802
3,5-Dimethyl-1-(1,2,2-trifluoro-3-methylbut-3-enyl)piperidine
CID 134531065
1-(1,2-Difluoro-2,3-dimethylbut-3-enyl)-3,5-dimethylpiperidine
CID 134531079
3-Fluoro-4-methyl-1-(3-methylidenepentyl)piperidine
CID 135273853

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-4-methylidenehexa-1,5-dien-2-yl)-1-methylpiperidine?
The IUPAC name of 4-(5-fluoro-4-methylidenehexa-1,5-dien-2-yl)-1-methylpiperidine (CID 134365582) is 4-(5-fluoro-4-methylidenehexa-1,5-dien-2-yl)-1-methylpiperidine.
What is the SMILES notation for 4-(5-fluoro-4-methylidenehexa-1,5-dien-2-yl)-1-methylpiperidine?
The canonical SMILES for 4-(5-fluoro-4-methylidenehexa-1,5-dien-2-yl)-1-methylpiperidine is C=C(F)C(=C)CC(=C)C1CCN(C)CC1.
What is the InChIKey of 4-(5-fluoro-4-methylidenehexa-1,5-dien-2-yl)-1-methylpiperidine?
The InChIKey is CEKDZKCMELSEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-10(12(3)14)9-11(2)13-5-7-15(4)8-6-13/h13H,1-3,5-9H2,4H3.
What are the key properties of 4-(5-fluoro-4-methylidenehexa-1,5-dien-2-yl)-1-methylpiperidine?
4-(5-fluoro-4-methylidenehexa-1,5-dien-2-yl)-1-methylpiperidine has a molecular weight of 209.31 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-4-methylidenehexa-1,5-dien-2-yl)-1-methylpiperidine is sourced from PubChem (CID 134365582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).