(2-fluorophenyl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

C19H17F4NO2 — CID 56912424

IUPAC(2-fluorophenyl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H17F4NO2/c20-16-7-2-1-6-15(16)17(25)24-10-8-18(26,9-11-24)13-4-3-5-14(12-13)19(21,22)23/h1-7,12,26H,8-11H2
InChIKeyBZIAFOLBEFCZEG-UHFFFAOYSA-N
MW367.34 g/mol
LogP3.97
Rot. Bonds2

About (2-fluorophenyl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

(2-fluorophenyl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 56912424) has the molecular formula C19H17F4NO2 and a molecular weight of 367.34 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID56912424
Molecular FormulaC19H17F4NO2
Molecular Weight367.34 g/mol
Exact Mass367.12
IUPAC Name(2-fluorophenyl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H17F4NO2/c20-16-7-2-1-6-15(16)17(25)24-10-8-18(26,9-11-24)13-4-3-5-14(12-13)19(21,22)23/h1-7,12,26H,8-11H2
InChIKeyBZIAFOLBEFCZEG-UHFFFAOYSA-N
XLogP3.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-chloro-1H-indol-3-yl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 59429659
[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 56904857
[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 56898774
(2R)-2-hydroxy-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-3-methylbutan-1-one
CID 95873840
[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 70767483
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide
CID 171929292
(2S)-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 95897796
[(2R)-1,4-dioxan-2-yl]-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 95893815
(1-ethylpyrazol-4-yl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 56910663
1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 56901291
(4-hydroxy-4-phenylpiperidin-1-yl)-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 44755671
1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 55116078

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 56912424) is (2-fluorophenyl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is O=C(c1ccccc1F)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of (2-fluorophenyl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is BZIAFOLBEFCZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4NO2/c20-16-7-2-1-6-15(16)17(25)24-10-8-18(26,9-11-24)13-4-3-5-14(12-13)19(21,22)23/h1-7,12,26H,8-11H2.
What are the key properties of (2-fluorophenyl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
(2-fluorophenyl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 367.34 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56912424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).