4-[(4E,6Z)-5-fluoroocta-4,6-dienyl]-1-methylpiperidine

C14H24FN — CID 144692116

IUPAC4-[(4E,6Z)-5-fluoroocta-4,6-dienyl]-1-methylpiperidine
SMILESC/C=C\C(F)=C/CCCC1CCN(C)CC1
InChIInChI=1S/C14H24FN/c1-3-6-14(15)8-5-4-7-13-9-11-16(2)12-10-13/h3,6,8,13H,4-5,7,9-12H2,1-2H3/b6-3-,14-8+
InChIKeyCTEATFHTFVLUAE-UARMJIRBSA-N
MW225.35 g/mol
LogP3.93
Rot. Bonds5

About 4-[(4E,6Z)-5-fluoroocta-4,6-dienyl]-1-methylpiperidine

4-[(4E,6Z)-5-fluoroocta-4,6-dienyl]-1-methylpiperidine (PubChem CID 144692116) has the molecular formula C14H24FN and a molecular weight of 225.35 g/mol. Its IUPAC name is 4-[(4E,6Z)-5-fluoroocta-4,6-dienyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(4E,6Z)-5-fluoroocta-4,6-dienyl]-1-methylpiperidine
PubChem CID144692116
Molecular FormulaC14H24FN
Molecular Weight225.35 g/mol
Exact Mass225.19
IUPAC Name4-[(4E,6Z)-5-fluoroocta-4,6-dienyl]-1-methylpiperidine
SMILESC/C=C\C(F)=C/CCCC1CCN(C)CC1
InChIInChI=1S/C14H24FN/c1-3-6-14(15)8-5-4-7-13-9-11-16(2)12-10-13/h3,6,8,13H,4-5,7,9-12H2,1-2H3/b6-3-,14-8+
InChIKeyCTEATFHTFVLUAE-UARMJIRBSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Cyclohexene-1-methylamine, N,N-diethyl-, hydrochloride
CID 200463
1-(3,7-Dimethyloct-6-en-1-yl)piperidine
CID 3592771
4-Cyclopenta-1,3-dien-1-yl-1-methylpiperidine
CID 12982244
N-(3-ethylheptyl)-1,5-difluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine
CID 17948343
1-fluoro-N-(2-methylpentyl)-N-nonylcyclohexa-2,4-dien-1-amine
CID 23123042
N-(3-ethylheptyl)-1-fluoro-N-methylcyclohexa-2,4-dien-1-amine
CID 23123206
N-ethyl-1-fluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine
CID 23123337
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
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-[(4E,6Z)-5-fluoroocta-4,6-dienyl]-1-methylpiperidine?
The IUPAC name of 4-[(4E,6Z)-5-fluoroocta-4,6-dienyl]-1-methylpiperidine (CID 144692116) is 4-[(4E,6Z)-5-fluoroocta-4,6-dienyl]-1-methylpiperidine.
What is the SMILES notation for 4-[(4E,6Z)-5-fluoroocta-4,6-dienyl]-1-methylpiperidine?
The canonical SMILES for 4-[(4E,6Z)-5-fluoroocta-4,6-dienyl]-1-methylpiperidine is C/C=C\C(F)=C/CCCC1CCN(C)CC1.
What is the InChIKey of 4-[(4E,6Z)-5-fluoroocta-4,6-dienyl]-1-methylpiperidine?
The InChIKey is CTEATFHTFVLUAE-UARMJIRBSA-N. The full InChI is InChI=1S/C14H24FN/c1-3-6-14(15)8-5-4-7-13-9-11-16(2)12-10-13/h3,6,8,13H,4-5,7,9-12H2,1-2H3/b6-3-,14-8+.
What are the key properties of 4-[(4E,6Z)-5-fluoroocta-4,6-dienyl]-1-methylpiperidine?
4-[(4E,6Z)-5-fluoroocta-4,6-dienyl]-1-methylpiperidine has a molecular weight of 225.35 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4E,6Z)-5-fluoroocta-4,6-dienyl]-1-methylpiperidine is sourced from PubChem (CID 144692116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).