(4-hydroxyphenyl)-[1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-yl]methanone

C21H22F3NO3 — CID 86827290

IUPAC(4-hydroxyphenyl)-[1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(O)cc1)C1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1
InChIInChI=1S/C21H22F3NO3/c22-21(23,24)14-28-19-7-1-15(2-8-19)13-25-11-9-17(10-12-25)20(27)16-3-5-18(26)6-4-16/h1-8,17,26H,9-14H2
InChIKeyKBCSTEHBSRLIPU-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.43
Rot. Bonds6

About (4-hydroxyphenyl)-[1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-yl]methanone

(4-hydroxyphenyl)-[1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-yl]methanone (PubChem CID 86827290) has the molecular formula C21H22F3NO3 and a molecular weight of 393.41 g/mol. Its IUPAC name is (4-hydroxyphenyl)-[1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-[1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-yl]methanone
PubChem CID86827290
Molecular FormulaC21H22F3NO3
Molecular Weight393.41 g/mol
Exact Mass393.16
IUPAC Name(4-hydroxyphenyl)-[1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(O)cc1)C1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1
InChIInChI=1S/C21H22F3NO3/c22-21(23,24)14-28-19-7-1-15(2-8-19)13-25-11-9-17(10-12-25)20(27)16-3-5-18(26)6-4-16/h1-8,17,26H,9-14H2
InChIKeyKBCSTEHBSRLIPU-UHFFFAOYSA-N
XLogP4.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 134093441
[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 134093506
[1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 171984960
2-[(4S)-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]azepan-4-yl]acetic acid
CID 129488958
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone
CID 171942646
4-[[(1S,4S)-5-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
CID 46899049
(4-aminophenyl)-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]piperidin-4-yl]methanone
CID 86670979
4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]benzoic acid
CID 10244950
1,3-oxazol-2-yl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanone
CID 23725431
9-thiabicyclo[3.3.1]nonan-3-yl-[4-(2,2,2-trifluoroethoxy)phenyl]methanone
CID 171942661
[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone
CID 111113275
[1-[(1-ethylbenzotriazol-5-yl)methyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone;2,2,2-trifluoroacetic acid
CID 167803826

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-[1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-yl]methanone?
The IUPAC name of (4-hydroxyphenyl)-[1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-yl]methanone (CID 86827290) is (4-hydroxyphenyl)-[1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-hydroxyphenyl)-[1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-hydroxyphenyl)-[1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-yl]methanone is O=C(c1ccc(O)cc1)C1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1.
What is the InChIKey of (4-hydroxyphenyl)-[1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-yl]methanone?
The InChIKey is KBCSTEHBSRLIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3NO3/c22-21(23,24)14-28-19-7-1-15(2-8-19)13-25-11-9-17(10-12-25)20(27)16-3-5-18(26)6-4-16/h1-8,17,26H,9-14H2.
What are the key properties of (4-hydroxyphenyl)-[1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-yl]methanone?
(4-hydroxyphenyl)-[1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-yl]methanone has a molecular weight of 393.41 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-[1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 86827290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).