1-[(3E,5Z)-4-fluoro-2-methylidenehepta-3,5-dienyl]piperidine

C13H20FN — CID 134549692

IUPAC1-[(3E,5Z)-4-fluoro-2-methylidenehepta-3,5-dienyl]piperidine
SMILESC=C(/C=C(F)\C=C/C)CN1CCCCC1
InChIInChI=1S/C13H20FN/c1-3-7-13(14)10-12(2)11-15-8-5-4-6-9-15/h3,7,10H,2,4-6,8-9,11H2,1H3/b7-3-,13-10+
InChIKeyVHCXBZZTPIWSFA-ZGWXSTTMSA-N
MW209.31 g/mol
LogP3.46
Rot. Bonds4

About 1-[(3E,5Z)-4-fluoro-2-methylidenehepta-3,5-dienyl]piperidine

1-[(3E,5Z)-4-fluoro-2-methylidenehepta-3,5-dienyl]piperidine (PubChem CID 134549692) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-[(3E,5Z)-4-fluoro-2-methylidenehepta-3,5-dienyl]piperidine.

Molecular Properties

Compound Name1-[(3E,5Z)-4-fluoro-2-methylidenehepta-3,5-dienyl]piperidine
PubChem CID134549692
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name1-[(3E,5Z)-4-fluoro-2-methylidenehepta-3,5-dienyl]piperidine
SMILESC=C(/C=C(F)\C=C/C)CN1CCCCC1
InChIInChI=1S/C13H20FN/c1-3-7-13(14)10-12(2)11-15-8-5-4-6-9-15/h3,7,10H,2,4-6,8-9,11H2,1H3/b7-3-,13-10+
InChIKeyVHCXBZZTPIWSFA-ZGWXSTTMSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Geranylpiperidine
CID 12760939
Bromo[2-(1-piperidinylmethyl)phenyl]magnesium
CID 16217258
[3-(1-Piperidinylmethyl)phenyl]magnesium bromide
CID 16217259
(4-(1-Piperidinylmethyl)phenyl)magnesium bromide
CID 16217260
1-(1-Cyclopenta-2,4-dien-1-ylidenepropyl)piperidine
CID 134982821
1-[(E)-2-ethylhex-2-enyl]-1-methylpiperidin-1-ium
CID 6152674
1-(3,7-Dimethylocta-2,6-dien-1-yl)piperidine
CID 53765235
N-(2,7-dimethyl-2,7-octadienyl)piperidine
CID 86023806
1-fluoro-N-hexyl-N-methylcyclohexa-2,4-dien-1-amine
CID 17948373
1-(1-Fluorocyclohexa-2,4-dien-1-yl)piperidine
CID 22637767
1-fluoro-N-hexyl-N-propylcyclohexa-2,4-dien-1-amine
CID 23123430
1-[2-(1-Fluorocyclohexa-2,4-dien-1-yl)ethyl]-4-methylidenepiperidine
CID 69593663

Frequently Asked Questions

What is the IUPAC name of 1-[(3E,5Z)-4-fluoro-2-methylidenehepta-3,5-dienyl]piperidine?
The IUPAC name of 1-[(3E,5Z)-4-fluoro-2-methylidenehepta-3,5-dienyl]piperidine (CID 134549692) is 1-[(3E,5Z)-4-fluoro-2-methylidenehepta-3,5-dienyl]piperidine.
What is the SMILES notation for 1-[(3E,5Z)-4-fluoro-2-methylidenehepta-3,5-dienyl]piperidine?
The canonical SMILES for 1-[(3E,5Z)-4-fluoro-2-methylidenehepta-3,5-dienyl]piperidine is C=C(/C=C(F)\C=C/C)CN1CCCCC1.
What is the InChIKey of 1-[(3E,5Z)-4-fluoro-2-methylidenehepta-3,5-dienyl]piperidine?
The InChIKey is VHCXBZZTPIWSFA-ZGWXSTTMSA-N. The full InChI is InChI=1S/C13H20FN/c1-3-7-13(14)10-12(2)11-15-8-5-4-6-9-15/h3,7,10H,2,4-6,8-9,11H2,1H3/b7-3-,13-10+.
What are the key properties of 1-[(3E,5Z)-4-fluoro-2-methylidenehepta-3,5-dienyl]piperidine?
1-[(3E,5Z)-4-fluoro-2-methylidenehepta-3,5-dienyl]piperidine has a molecular weight of 209.31 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5Z)-4-fluoro-2-methylidenehepta-3,5-dienyl]piperidine is sourced from PubChem (CID 134549692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).