4-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-1-methylpiperidine

C15H22FN — CID 129131717

IUPAC4-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-1-methylpiperidine
SMILESC=C(C1CCN(C)CC1)C1(C)C=CC(F)=CC1
InChIInChI=1S/C15H22FN/c1-12(13-6-10-17(3)11-7-13)15(2)8-4-14(16)5-9-15/h4-5,8,13H,1,6-7,9-11H2,2-3H3
InChIKeyAUOSPFHZOAMSTL-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.70
Rot. Bonds2

About 4-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-1-methylpiperidine

4-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-1-methylpiperidine (PubChem CID 129131717) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 4-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-1-methylpiperidine
PubChem CID129131717
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name4-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-1-methylpiperidine
SMILESC=C(C1CCN(C)CC1)C1(C)C=CC(F)=CC1
InChIInChI=1S/C15H22FN/c1-12(13-6-10-17(3)11-7-13)15(2)8-4-14(16)5-9-15/h4-5,8,13H,1,6-7,9-11H2,2-3H3
InChIKeyAUOSPFHZOAMSTL-UHFFFAOYSA-N
XLogP3.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-1-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Cyclopenta-1,3-dien-1-yl-1-methylpiperidine
CID 12982244
3-(4-fluorocyclohexa-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine
CID 53831859
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
1-(4-Methylcyclohexa-1,5-dien-1-yl)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexane
CID 71216739
1-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine
CID 89297752
2-ethyl-8-(trifluoromethyl)-3,4,8,8a-tetrahydro-1H-isoquinoline
CID 89514082
2-ethyl-6-fluoro-3,4,8,8a-tetrahydro-1H-isoquinoline
CID 89514110
1-Methyl-4-[2-(trifluoromethyl)cyclohexa-2,5-dien-1-yl]piperidine
CID 91802982
4-(4-Fluorocyclohexa-1,3-dien-1-yl)-1-methylpiperidine
CID 118422995
4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-methylpiperidine
CID 121306892

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-1-methylpiperidine?
The IUPAC name of 4-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-1-methylpiperidine (CID 129131717) is 4-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-1-methylpiperidine.
What is the SMILES notation for 4-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-1-methylpiperidine?
The canonical SMILES for 4-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-1-methylpiperidine is C=C(C1CCN(C)CC1)C1(C)C=CC(F)=CC1.
What is the InChIKey of 4-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-1-methylpiperidine?
The InChIKey is AUOSPFHZOAMSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-12(13-6-10-17(3)11-7-13)15(2)8-4-14(16)5-9-15/h4-5,8,13H,1,6-7,9-11H2,2-3H3.
What are the key properties of 4-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-1-methylpiperidine?
4-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-1-methylpiperidine has a molecular weight of 235.35 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-1-methylpiperidine is sourced from PubChem (CID 129131717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).