4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-methylpiperidine

C12H20FN — CID 121306892

IUPAC4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-methylpiperidine
SMILESC/C(F)=C\C=C(/C)C1CCN(C)CC1
InChIInChI=1S/C12H20FN/c1-10(4-5-11(2)13)12-6-8-14(3)9-7-12/h4-5,12H,6-9H2,1-3H3/b10-4+,11-5+
InChIKeyKQTKBFRSEZTGFH-ZVSIBQGLSA-N
MW197.30 g/mol
LogP3.15
Rot. Bonds2

About 4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-methylpiperidine

4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-methylpiperidine (PubChem CID 121306892) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is 4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-methylpiperidine
PubChem CID121306892
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-methylpiperidine
SMILESC/C(F)=C\C=C(/C)C1CCN(C)CC1
InChIInChI=1S/C12H20FN/c1-10(4-5-11(2)13)12-6-8-14(3)9-7-12/h4-5,12H,6-9H2,1-3H3/b10-4+,11-5+
InChIKeyKQTKBFRSEZTGFH-ZVSIBQGLSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3,7-Dimethyloct-6-en-1-yl)piperidine
CID 3592771
4-Cyclopenta-1,3-dien-1-yl-1-methylpiperidine
CID 12982244
2-methyl-3,4,4a,5-tetrahydro-1H-isoquinoline
CID 68536267
n-Allyltetrahydroisoquinoline
CID 69120546
2-Ethyltetrahydroisoquinoline
CID 129739616
3-(4-fluorocyclohexa-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine
CID 53831859
1-[(2,6-Difluorocyclohexa-2,4-dien-1-yl)methyl]piperidine
CID 66807098
1-[2-(1-Fluorocyclohexa-2,4-dien-1-yl)ethyl]-4-methylidenepiperidine
CID 69593663
1-[2-(4-Fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine
CID 70819928
2-methyl-6-(trifluoromethyl)-3,4,4a,8a-tetrahydro-1H-isoquinoline
CID 70836536
(8aS)-2-methyl-6-(trifluoromethyl)-3,4,4a,8a-tetrahydro-1H-isoquinoline
CID 70836557
1-Ethyl-4-[4-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine
CID 70954594

Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-methylpiperidine?
The IUPAC name of 4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-methylpiperidine (CID 121306892) is 4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-methylpiperidine?
The canonical SMILES for 4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-methylpiperidine is C/C(F)=C\C=C(/C)C1CCN(C)CC1.
What is the InChIKey of 4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-methylpiperidine?
The InChIKey is KQTKBFRSEZTGFH-ZVSIBQGLSA-N. The full InChI is InChI=1S/C12H20FN/c1-10(4-5-11(2)13)12-6-8-14(3)9-7-12/h4-5,12H,6-9H2,1-3H3/b10-4+,11-5+.
What are the key properties of 4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-methylpiperidine?
4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-methylpiperidine has a molecular weight of 197.30 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-methylpiperidine is sourced from PubChem (CID 121306892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).