4-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine

C12H16F3NO — CID 142028547

IUPAC4-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine
SMILESFC(F)(F)C1=C(OC2CCNCC2)C=CCC1
InChIInChI=1S/C12H16F3NO/c13-12(14,15)10-3-1-2-4-11(10)17-9-5-7-16-8-6-9/h2,4,9,16H,1,3,5-8H2
InChIKeyJCFXQWBAYPKLNY-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.92
Rot. Bonds2

About 4-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine

4-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine (PubChem CID 142028547) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine
PubChem CID142028547
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name4-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine
SMILESFC(F)(F)C1=C(OC2CCNCC2)C=CCC1
InChIInChI=1S/C12H16F3NO/c13-12(14,15)10-3-1-2-4-11(10)17-9-5-7-16-8-6-9/h2,4,9,16H,1,3,5-8H2
InChIKeyJCFXQWBAYPKLNY-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z,2E)-5,5,5-trifluoro-2-(2-piperidin-4-yloxyprop-2-enylidene)pent-3-ene-1,4-diamine
CID 88320220
4-[(1E,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trienoxy]piperidine
CID 89355269
4-(4-Fluorocyclohexa-2,4-dien-1-yl)oxypiperidine
CID 89672767
1-[6-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)oxycyclohexa-1,3-dien-1-yl]-N-methylmethanamine
CID 138502674
4-[[4-Fluoro-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methoxy]piperidine
CID 140229680
4-Cyclohexa-1,5-dien-1-yloxy-3,3-difluoropiperidine;ethane
CID 142380154
4-[[5-Methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]piperidine
CID 142853164
4-[7-(Trifluoromethyl)cyclohepta-1,6-dien-4-yn-1-yl]oxypiperidine
CID 143461875
4-[2-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypiperidine
CID 145651622
4-[(4-Fluorocyclohexa-1,3-dien-1-yl)methoxy]piperidine
CID 164543507
Ethane;1-methyl-4-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine
CID 168168416
ethane;4-fluoro-4-methylpiperidine;(3Z,6Z)-2-methyl-9-[(2Z,4E)-4-(trifluoromethyl)hepta-2,4,6-trienoxy]undeca-1,3,6-triene
CID 177970971

Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine?
The IUPAC name of 4-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine (CID 142028547) is 4-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine.
What is the SMILES notation for 4-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine?
The canonical SMILES for 4-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine is FC(F)(F)C1=C(OC2CCNCC2)C=CCC1.
What is the InChIKey of 4-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine?
The InChIKey is JCFXQWBAYPKLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c13-12(14,15)10-3-1-2-4-11(10)17-9-5-7-16-8-6-9/h2,4,9,16H,1,3,5-8H2.
What are the key properties of 4-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine?
4-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine has a molecular weight of 247.26 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine is sourced from PubChem (CID 142028547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).