1-phenyl-4-(2,4,6-trifluorophenoxy)piperidine

C17H16F3NO — CID 173058525

IUPAC1-phenyl-4-(2,4,6-trifluorophenoxy)piperidine
SMILESFc1cc(F)c(OC2CCN(c3ccccc3)CC2)c(F)c1
InChIInChI=1S/C17H16F3NO/c18-12-10-15(19)17(16(20)11-12)22-14-6-8-21(9-7-14)13-4-2-1-3-5-13/h1-5,10-11,14H,6-9H2
InChIKeyUPZQBHVBBHFGEN-UHFFFAOYSA-N
MW307.31 g/mol
LogP4.15
Rot. Bonds3

About 1-phenyl-4-(2,4,6-trifluorophenoxy)piperidine

1-phenyl-4-(2,4,6-trifluorophenoxy)piperidine (PubChem CID 173058525) has the molecular formula C17H16F3NO and a molecular weight of 307.31 g/mol. Its IUPAC name is 1-phenyl-4-(2,4,6-trifluorophenoxy)piperidine.

Molecular Properties

Compound Name1-phenyl-4-(2,4,6-trifluorophenoxy)piperidine
PubChem CID173058525
Molecular FormulaC17H16F3NO
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name1-phenyl-4-(2,4,6-trifluorophenoxy)piperidine
SMILESFc1cc(F)c(OC2CCN(c3ccccc3)CC2)c(F)c1
InChIInChI=1S/C17H16F3NO/c18-12-10-15(19)17(16(20)11-12)22-14-6-8-21(9-7-14)13-4-2-1-3-5-13/h1-5,10-11,14H,6-9H2
InChIKeyUPZQBHVBBHFGEN-UHFFFAOYSA-N
XLogP4.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-(1-phenylpiperidin-4-yl)oxyaniline
CID 137455233
4-[2-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine
CID 68508942
4-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-1-phenylpiperidine
CID 70660881
N-(4-fluoro-3-methylphenyl)-1-phenylpiperidin-4-amine
CID 103892780
3-fluoro-5-(4-phenylpiperazin-1-yl)benzaldehyde
CID 106529031
(1-benzylpiperidin-4-yl)-[4-(2,6-difluoro-4-phosphanylphenoxy)piperidin-1-yl]methanone
CID 143495989
N-(2,4-dichlorophenyl)-1-phenylpiperidin-4-amine
CID 106820276
1-phenylpiperidin-4-ol;dihydrochloride
CID 174840165
ethane;4-methyl-1-phenylpiperidine
CID 143180672
N-cyclobutyl-1-phenylpiperidin-4-amine
CID 103901830
2-cyclopropyloxy-1,5-difluoro-3-propan-2-ylbenzene
CID 164786407
4-(cyclopropyloxymethyl)-1-phenylpiperidine
CID 10443904

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(2,4,6-trifluorophenoxy)piperidine?
The IUPAC name of 1-phenyl-4-(2,4,6-trifluorophenoxy)piperidine (CID 173058525) is 1-phenyl-4-(2,4,6-trifluorophenoxy)piperidine.
What is the SMILES notation for 1-phenyl-4-(2,4,6-trifluorophenoxy)piperidine?
The canonical SMILES for 1-phenyl-4-(2,4,6-trifluorophenoxy)piperidine is Fc1cc(F)c(OC2CCN(c3ccccc3)CC2)c(F)c1.
What is the InChIKey of 1-phenyl-4-(2,4,6-trifluorophenoxy)piperidine?
The InChIKey is UPZQBHVBBHFGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO/c18-12-10-15(19)17(16(20)11-12)22-14-6-8-21(9-7-14)13-4-2-1-3-5-13/h1-5,10-11,14H,6-9H2.
What are the key properties of 1-phenyl-4-(2,4,6-trifluorophenoxy)piperidine?
1-phenyl-4-(2,4,6-trifluorophenoxy)piperidine has a molecular weight of 307.31 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(2,4,6-trifluorophenoxy)piperidine is sourced from PubChem (CID 173058525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).