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'}

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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).