1-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine

C14H22FN — CID 89297752

IUPAC1-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine
SMILESC=C/C=C\C(=C/CF)CN1CCC(C)CC1
InChIInChI=1S/C14H22FN/c1-3-4-5-14(6-9-15)12-16-10-7-13(2)8-11-16/h3-6,13H,1,7-12H2,2H3/b5-4-,14-6+
InChIKeyHULMNYNLUVFVNY-VLZWCJPISA-N
MW223.34 g/mol
LogP3.36
Rot. Bonds5

About 1-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine

1-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine (PubChem CID 89297752) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine
PubChem CID89297752
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC Name1-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine
SMILESC=C/C=C\C(=C/CF)CN1CCC(C)CC1
InChIInChI=1S/C14H22FN/c1-3-4-5-14(6-9-15)12-16-10-7-13(2)8-11-16/h3-6,13H,1,7-12H2,2H3/b5-4-,14-6+
InChIKeyHULMNYNLUVFVNY-VLZWCJPISA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.36
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-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine?
The IUPAC name of 1-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine (CID 89297752) is 1-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine.
What is the SMILES notation for 1-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine?
The canonical SMILES for 1-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine is C=C/C=C\C(=C/CF)CN1CCC(C)CC1.
What is the InChIKey of 1-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine?
The InChIKey is HULMNYNLUVFVNY-VLZWCJPISA-N. The full InChI is InChI=1S/C14H22FN/c1-3-4-5-14(6-9-15)12-16-10-7-13(2)8-11-16/h3-6,13H,1,7-12H2,2H3/b5-4-,14-6+.
What are the key properties of 1-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine?
1-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine has a molecular weight of 223.34 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine is sourced from PubChem (CID 89297752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).