4-[(2E,4E)-5-fluoro-2-propylhexa-2,4-dienyl]piperidine-4-carbonitrile

C15H23FN2 — CID 89060584

IUPAC4-[(2E,4E)-5-fluoro-2-propylhexa-2,4-dienyl]piperidine-4-carbonitrile
SMILESCCC/C(=C\C=C(/C)F)CC1(C#N)CCNCC1
InChIInChI=1S/C15H23FN2/c1-3-4-14(6-5-13(2)16)11-15(12-17)7-9-18-10-8-15/h5-6,18H,3-4,7-11H2,1-2H3/b13-5+,14-6+
InChIKeyOUHGYCHTFIUAGH-ACFHMISVSA-N
MW250.36 g/mol
LogP3.87
Rot. Bonds5

About 4-[(2E,4E)-5-fluoro-2-propylhexa-2,4-dienyl]piperidine-4-carbonitrile

4-[(2E,4E)-5-fluoro-2-propylhexa-2,4-dienyl]piperidine-4-carbonitrile (PubChem CID 89060584) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 4-[(2E,4E)-5-fluoro-2-propylhexa-2,4-dienyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-[(2E,4E)-5-fluoro-2-propylhexa-2,4-dienyl]piperidine-4-carbonitrile
PubChem CID89060584
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name4-[(2E,4E)-5-fluoro-2-propylhexa-2,4-dienyl]piperidine-4-carbonitrile
SMILESCCC/C(=C\C=C(/C)F)CC1(C#N)CCNCC1
InChIInChI=1S/C15H23FN2/c1-3-4-14(6-5-13(2)16)11-15(12-17)7-9-18-10-8-15/h5-6,18H,3-4,7-11H2,1-2H3/b13-5+,14-6+
InChIKeyOUHGYCHTFIUAGH-ACFHMISVSA-N
XLogP3.87
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.87
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-[(2E,4E)-5-fluoro-2-propylhexa-2,4-dienyl]piperidine-4-carbonitrile?
The IUPAC name of 4-[(2E,4E)-5-fluoro-2-propylhexa-2,4-dienyl]piperidine-4-carbonitrile (CID 89060584) is 4-[(2E,4E)-5-fluoro-2-propylhexa-2,4-dienyl]piperidine-4-carbonitrile.
What is the SMILES notation for 4-[(2E,4E)-5-fluoro-2-propylhexa-2,4-dienyl]piperidine-4-carbonitrile?
The canonical SMILES for 4-[(2E,4E)-5-fluoro-2-propylhexa-2,4-dienyl]piperidine-4-carbonitrile is CCC/C(=C\C=C(/C)F)CC1(C#N)CCNCC1.
What is the InChIKey of 4-[(2E,4E)-5-fluoro-2-propylhexa-2,4-dienyl]piperidine-4-carbonitrile?
The InChIKey is OUHGYCHTFIUAGH-ACFHMISVSA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-4-14(6-5-13(2)16)11-15(12-17)7-9-18-10-8-15/h5-6,18H,3-4,7-11H2,1-2H3/b13-5+,14-6+.
What are the key properties of 4-[(2E,4E)-5-fluoro-2-propylhexa-2,4-dienyl]piperidine-4-carbonitrile?
4-[(2E,4E)-5-fluoro-2-propylhexa-2,4-dienyl]piperidine-4-carbonitrile has a molecular weight of 250.36 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4E)-5-fluoro-2-propylhexa-2,4-dienyl]piperidine-4-carbonitrile is sourced from PubChem (CID 89060584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).