4-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carbonitrile

C13H17FN2 — CID 143792320

IUPAC4-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carbonitrile
SMILESCC1(F)C=CC(C2(C#N)CCNCC2)=CC1
InChIInChI=1S/C13H17FN2/c1-12(14)4-2-11(3-5-12)13(10-15)6-8-16-9-7-13/h2-4,16H,5-9H2,1H3
InChIKeyJDQNDOZIJLETOV-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.49
Rot. Bonds1

About 4-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carbonitrile

4-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carbonitrile (PubChem CID 143792320) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 4-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carbonitrile
PubChem CID143792320
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name4-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carbonitrile
SMILESCC1(F)C=CC(C2(C#N)CCNCC2)=CC1
InChIInChI=1S/C13H17FN2/c1-12(14)4-2-11(3-5-12)13(10-15)6-8-16-9-7-13/h2-4,16H,5-9H2,1H3
InChIKeyJDQNDOZIJLETOV-UHFFFAOYSA-N
XLogP2.49
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-Fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine-4-carbonitrile
CID 70881230
4-[(4-Fluorocyclohexa-1,5-dien-1-yl)methyl]piperidine-4-carbonitrile
CID 70881303
4-[(2E,4E)-5-fluoro-2-propylhexa-2,4-dienyl]piperidine-4-carbonitrile
CID 89060584
4-[(3Z,5E)-5-fluorohepta-3,5-dienyl]piperidine-4-carbonitrile
CID 89060679
4-[(2E,4E)-5-fluoro-2-methylhepta-2,4,6-trienyl]piperidine-4-carbonitrile
CID 89060682
4-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]piperidine-4-carbonitrile
CID 89060688
4-(4-Fluorocyclohexa-1,5-dien-1-yl)piperidine
CID 89358489
1-ethyl-4-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]piperidine-4-carbonitrile
CID 124143144
4-[(1E,3Z,5Z)-1-fluorohepta-1,3,5-trien-4-yl]piperidine
CID 134365700
4-[(2Z,6Z)-4-fluoroocta-2,4,6-trien-3-yl]-1-methylpiperidine-4-carbonitrile
CID 143617052
4-(5-Fluorocyclohepta-1,4,6-trien-1-yl)piperidine-4-carbonitrile
CID 143792408
4-[(3Z)-5-fluorohexa-3,5-dienyl]piperidine-4-carbonitrile
CID 144013157

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carbonitrile?
The IUPAC name of 4-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carbonitrile (CID 143792320) is 4-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carbonitrile?
The canonical SMILES for 4-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carbonitrile is CC1(F)C=CC(C2(C#N)CCNCC2)=CC1.
What is the InChIKey of 4-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carbonitrile?
The InChIKey is JDQNDOZIJLETOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-12(14)4-2-11(3-5-12)13(10-15)6-8-16-9-7-13/h2-4,16H,5-9H2,1H3.
What are the key properties of 4-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carbonitrile?
4-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carbonitrile has a molecular weight of 220.29 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carbonitrile is sourced from PubChem (CID 143792320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).