4-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]phenol

C20H22F3NO — CID 70873700

IUPAC4-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]phenol
SMILESOc1ccc(N2CCC(CCc3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C20H22F3NO/c21-20(22,23)17-5-3-15(4-6-17)1-2-16-11-13-24(14-12-16)18-7-9-19(25)10-8-18/h3-10,16,25H,1-2,11-14H2
InChIKeyHLBAXBGDXPDPIX-UHFFFAOYSA-N
MW349.40 g/mol
LogP5.26
Rot. Bonds4

About 4-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]phenol

4-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]phenol (PubChem CID 70873700) has the molecular formula C20H22F3NO and a molecular weight of 349.40 g/mol. Its IUPAC name is 4-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]phenol
PubChem CID70873700
Molecular FormulaC20H22F3NO
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name4-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]phenol
SMILESOc1ccc(N2CCC(CCc3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C20H22F3NO/c21-20(22,23)17-5-3-15(4-6-17)1-2-16-11-13-24(14-12-16)18-7-9-19(25)10-8-18/h3-10,16,25H,1-2,11-14H2
InChIKeyHLBAXBGDXPDPIX-UHFFFAOYSA-N
XLogP5.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.40
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene
CID 160836362
4-(4-propylpiperidin-1-yl)phenol
CID 165358736
4-[3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]aniline
CID 156774748
ethane;1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]propan-2-one
CID 142379007
3-(2-bromoethyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 114800769
1-[4-(oxan-2-yloxy)phenyl]-4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidine
CID 70873440
1-[3-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 167535153
3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 167080885
(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 18725667
1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(trifluoromethyl)phenyl]benzene
CID 22886828
[4-(4-hydroxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 8779377
4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine;4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]phenol
CID 158919726

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]phenol?
The IUPAC name of 4-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]phenol (CID 70873700) is 4-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]phenol.
What is the SMILES notation for 4-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]phenol?
The canonical SMILES for 4-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]phenol is Oc1ccc(N2CCC(CCc3ccc(C(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of 4-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]phenol?
The InChIKey is HLBAXBGDXPDPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO/c21-20(22,23)17-5-3-15(4-6-17)1-2-16-11-13-24(14-12-16)18-7-9-19(25)10-8-18/h3-10,16,25H,1-2,11-14H2.
What are the key properties of 4-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]phenol?
4-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]phenol has a molecular weight of 349.40 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]phenol is sourced from PubChem (CID 70873700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).