1-buta-1,3-dien-2-yl-4-(6-fluorohexa-3,5-dienyl)piperidine

C15H22FN — CID 123697465

IUPAC1-buta-1,3-dien-2-yl-4-(6-fluorohexa-3,5-dienyl)piperidine
SMILESC=CC(=C)N1CCC(CCC=CC=CF)CC1
InChIInChI=1S/C15H22FN/c1-3-14(2)17-12-9-15(10-13-17)8-6-4-5-7-11-16/h3-5,7,11,15H,1-2,6,8-10,12-13H2
InChIKeyRDMUMAPIJNQOOX-UHFFFAOYSA-N
MW235.35 g/mol
LogP4.22
Rot. Bonds6

About 1-buta-1,3-dien-2-yl-4-(6-fluorohexa-3,5-dienyl)piperidine

1-buta-1,3-dien-2-yl-4-(6-fluorohexa-3,5-dienyl)piperidine (PubChem CID 123697465) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-buta-1,3-dien-2-yl-4-(6-fluorohexa-3,5-dienyl)piperidine.

Molecular Properties

Compound Name1-buta-1,3-dien-2-yl-4-(6-fluorohexa-3,5-dienyl)piperidine
PubChem CID123697465
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name1-buta-1,3-dien-2-yl-4-(6-fluorohexa-3,5-dienyl)piperidine
SMILESC=CC(=C)N1CCC(CCC=CC=CF)CC1
InChIInChI=1S/C15H22FN/c1-3-14(2)17-12-9-15(10-13-17)8-6-4-5-7-11-16/h3-5,7,11,15H,1-2,6,8-10,12-13H2
InChIKeyRDMUMAPIJNQOOX-UHFFFAOYSA-N
XLogP4.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-buta-1,3-dien-2-yl-4-(6-fluorohexa-3,5-dienyl)piperidine 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

N-allyltetrahydroquinoline
CID 69120580
N-Methyl-tetrahydrochinolin
CID 69139421
N-butyltetrahydroquinoline
CID 70628816
Dimethyl hexahydroquinoline
CID 129883835
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
(3E)-N-[(2S)-4-[(1S,5R)-3,5-difluorocyclohex-3-en-1-yl]butan-2-yl]-6-methyl-N-prop-2-enylhepta-1,3-dien-3-amine
CID 122647527
(3Z,6Z)-N-ethyl-4-fluoro-6-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-3-[(6-methylcyclohexa-2,4-dien-1-yl)methyl]-5-methylideneocta-1,3,6-trien-2-amine
CID 132123933
(3Z,6Z)-N-ethyl-4-fluoro-6-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-5-methylidene-3-(3-methyl-2-prop-1-en-2-ylpentyl)octa-1,3,6-trien-2-amine
CID 132123939
(3Z,6Z)-N-[(4,4-dimethylcyclohex-2-en-1-yl)methyl]-N-ethyl-3-[(Z)-1-fluoro-3-methyl-2-methylidenepent-3-enylidene]-4-methylnona-1,6,8-trien-2-amine
CID 132124064
(3R)-3-[(2Z,4E)-4-fluoro-3-methylhepta-2,4,6-trienyl]-1-methylpiperidine
CID 134292242
4-(4-Fluorocyclohexa-2,4-dien-1-yl)-1-methylpiperidine
CID 134365605

Frequently Asked Questions

What is the IUPAC name of 1-buta-1,3-dien-2-yl-4-(6-fluorohexa-3,5-dienyl)piperidine?
The IUPAC name of 1-buta-1,3-dien-2-yl-4-(6-fluorohexa-3,5-dienyl)piperidine (CID 123697465) is 1-buta-1,3-dien-2-yl-4-(6-fluorohexa-3,5-dienyl)piperidine.
What is the SMILES notation for 1-buta-1,3-dien-2-yl-4-(6-fluorohexa-3,5-dienyl)piperidine?
The canonical SMILES for 1-buta-1,3-dien-2-yl-4-(6-fluorohexa-3,5-dienyl)piperidine is C=CC(=C)N1CCC(CCC=CC=CF)CC1.
What is the InChIKey of 1-buta-1,3-dien-2-yl-4-(6-fluorohexa-3,5-dienyl)piperidine?
The InChIKey is RDMUMAPIJNQOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-3-14(2)17-12-9-15(10-13-17)8-6-4-5-7-11-16/h3-5,7,11,15H,1-2,6,8-10,12-13H2.
What are the key properties of 1-buta-1,3-dien-2-yl-4-(6-fluorohexa-3,5-dienyl)piperidine?
1-buta-1,3-dien-2-yl-4-(6-fluorohexa-3,5-dienyl)piperidine has a molecular weight of 235.35 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-1,3-dien-2-yl-4-(6-fluorohexa-3,5-dienyl)piperidine is sourced from PubChem (CID 123697465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).