1-[2-(trifluoromethyl)cyclohexa-2,5-dien-1-yl]piperidine

C12H16F3N — CID 91187711

IUPAC1-[2-(trifluoromethyl)cyclohexa-2,5-dien-1-yl]piperidine
SMILESFC(F)(F)C1=CCC=CC1N1CCCCC1
InChIInChI=1S/C12H16F3N/c13-12(14,15)10-6-2-3-7-11(10)16-8-4-1-5-9-16/h3,6-7,11H,1-2,4-5,8-9H2
InChIKeyAHNINCNDEAEZSA-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.29
Rot. Bonds1

About 1-[2-(trifluoromethyl)cyclohexa-2,5-dien-1-yl]piperidine

1-[2-(trifluoromethyl)cyclohexa-2,5-dien-1-yl]piperidine (PubChem CID 91187711) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)cyclohexa-2,5-dien-1-yl]piperidine.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)cyclohexa-2,5-dien-1-yl]piperidine
PubChem CID91187711
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Name1-[2-(trifluoromethyl)cyclohexa-2,5-dien-1-yl]piperidine
SMILESFC(F)(F)C1=CCC=CC1N1CCCCC1
InChIInChI=1S/C12H16F3N/c13-12(14,15)10-6-2-3-7-11(10)16-8-4-1-5-9-16/h3,6-7,11H,1-2,4-5,8-9H2
InChIKeyAHNINCNDEAEZSA-UHFFFAOYSA-N
XLogP3.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(Cyclohex-2-en-1-yl)piperidine
CID 258780
1-(1-Fluorocyclohexa-2,4-dien-1-yl)piperidine
CID 22637767
1-(1,6-Difluorocyclohexa-2,4-dien-1-yl)piperidine
CID 23123419
4-Fluoro-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine
CID 134376304
1-[3-(Trifluoromethyl)cyclohex-3-en-1-yl]piperidine
CID 134458990
1-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]piperidine
CID 140996572
1-[[6-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperidine
CID 142221826
1-[2-Methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propylpiperazine
CID 143150984
1-[(2-Fluorocyclohexa-1,5-dien-1-yl)methyl]piperidine
CID 144302165
1-[(2,6-Difluorocyclohexa-1,5-dien-1-yl)methyl]piperidine
CID 144302524
ethane;N-[(3E)-3-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-yl]-N,1-dimethylpiperidin-4-amine
CID 144962869
(2R)-4,4-difluoro-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine
CID 145285196

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)cyclohexa-2,5-dien-1-yl]piperidine?
The IUPAC name of 1-[2-(trifluoromethyl)cyclohexa-2,5-dien-1-yl]piperidine (CID 91187711) is 1-[2-(trifluoromethyl)cyclohexa-2,5-dien-1-yl]piperidine.
What is the SMILES notation for 1-[2-(trifluoromethyl)cyclohexa-2,5-dien-1-yl]piperidine?
The canonical SMILES for 1-[2-(trifluoromethyl)cyclohexa-2,5-dien-1-yl]piperidine is FC(F)(F)C1=CCC=CC1N1CCCCC1.
What is the InChIKey of 1-[2-(trifluoromethyl)cyclohexa-2,5-dien-1-yl]piperidine?
The InChIKey is AHNINCNDEAEZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N/c13-12(14,15)10-6-2-3-7-11(10)16-8-4-1-5-9-16/h3,6-7,11H,1-2,4-5,8-9H2.
What are the key properties of 1-[2-(trifluoromethyl)cyclohexa-2,5-dien-1-yl]piperidine?
1-[2-(trifluoromethyl)cyclohexa-2,5-dien-1-yl]piperidine has a molecular weight of 231.26 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)cyclohexa-2,5-dien-1-yl]piperidine is sourced from PubChem (CID 91187711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).