4-[[2-fluoro-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine

C13H17F4N — CID 170068720

IUPAC4-[[2-fluoro-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine
SMILESFC1=C(CC2CCNCC2)CCC(C(F)(F)F)=C1
InChIInChI=1S/C13H17F4N/c14-12-8-11(13(15,16)17)2-1-10(12)7-9-3-5-18-6-4-9/h8-9,18H,1-7H2
InChIKeyHQYYEONWBPQWIA-UHFFFAOYSA-N
MW263.28 g/mol
LogP3.88
Rot. Bonds2

About 4-[[2-fluoro-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine

4-[[2-fluoro-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine (PubChem CID 170068720) has the molecular formula C13H17F4N and a molecular weight of 263.28 g/mol. Its IUPAC name is 4-[[2-fluoro-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[2-fluoro-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine
PubChem CID170068720
Molecular FormulaC13H17F4N
Molecular Weight263.28 g/mol
Exact Mass263.13
IUPAC Name4-[[2-fluoro-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine
SMILESFC1=C(CC2CCNCC2)CCC(C(F)(F)F)=C1
InChIInChI=1S/C13H17F4N/c14-12-8-11(13(15,16)17)2-1-10(12)7-9-3-5-18-6-4-9/h8-9,18H,1-7H2
InChIKeyHQYYEONWBPQWIA-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine
CID 84806750
4-[(3,5-difluorophenyl)methyl]piperidine;hydrochloride
CID 86007003
4-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidine
CID 23294446
4-[[4-(fluoromethyl)phenyl]methyl]piperidine
CID 84675538
4-[[4-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidine
CID 115039341
4-[(3-bromo-2,6-difluoro-5-methylphenyl)methyl]piperidine
CID 117489284
4-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperidine
CID 105492302
4-[(7-bromo-2,3-dihydro-1H-inden-5-yl)methyl]piperidine
CID 84815312
methanol;[4-(piperidin-4-ylmethyl)-3-(trifluoromethyl)phenyl]azanium
CID 162434887
4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
CID 46172843
4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 119931258
2-piperidin-4-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114489853

Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoro-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine?
The IUPAC name of 4-[[2-fluoro-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine (CID 170068720) is 4-[[2-fluoro-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine.
What is the SMILES notation for 4-[[2-fluoro-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine?
The canonical SMILES for 4-[[2-fluoro-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine is FC1=C(CC2CCNCC2)CCC(C(F)(F)F)=C1.
What is the InChIKey of 4-[[2-fluoro-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine?
The InChIKey is HQYYEONWBPQWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4N/c14-12-8-11(13(15,16)17)2-1-10(12)7-9-3-5-18-6-4-9/h8-9,18H,1-7H2.
What are the key properties of 4-[[2-fluoro-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine?
4-[[2-fluoro-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine has a molecular weight of 263.28 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-fluoro-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine is sourced from PubChem (CID 170068720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).