4-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]piperidine-4-carbonitrile

C13H17FN2 — CID 89060688

IUPAC4-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]piperidine-4-carbonitrile
SMILESC=C(F)/C=C\C(=C)CC1(C#N)CCNCC1
InChIInChI=1S/C13H17FN2/c1-11(3-4-12(2)14)9-13(10-15)5-7-16-8-6-13/h3-4,16H,1-2,5-9H2/b4-3-
InChIKeyVERVFCDHUUOHON-ARJAWSKDSA-N
MW220.29 g/mol
LogP2.87
Rot. Bonds4

About 4-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]piperidine-4-carbonitrile

4-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]piperidine-4-carbonitrile (PubChem CID 89060688) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 4-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]piperidine-4-carbonitrile
PubChem CID89060688
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name4-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]piperidine-4-carbonitrile
SMILESC=C(F)/C=C\C(=C)CC1(C#N)CCNCC1
InChIInChI=1S/C13H17FN2/c1-11(3-4-12(2)14)9-13(10-15)5-7-16-8-6-13/h3-4,16H,1-2,5-9H2/b4-3-
InChIKeyVERVFCDHUUOHON-ARJAWSKDSA-N
XLogP2.87
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]piperidine-4-carbonitrile?
The IUPAC name of 4-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]piperidine-4-carbonitrile (CID 89060688) is 4-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]piperidine-4-carbonitrile.
What is the SMILES notation for 4-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]piperidine-4-carbonitrile?
The canonical SMILES for 4-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]piperidine-4-carbonitrile is C=C(F)/C=C\C(=C)CC1(C#N)CCNCC1.
What is the InChIKey of 4-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]piperidine-4-carbonitrile?
The InChIKey is VERVFCDHUUOHON-ARJAWSKDSA-N. The full InChI is InChI=1S/C13H17FN2/c1-11(3-4-12(2)14)9-13(10-15)5-7-16-8-6-13/h3-4,16H,1-2,5-9H2/b4-3-.
What are the key properties of 4-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]piperidine-4-carbonitrile?
4-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]piperidine-4-carbonitrile has a molecular weight of 220.29 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]piperidine-4-carbonitrile is sourced from PubChem (CID 89060688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).