1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-morpholin-4-ylethanone

C18H23F3N2O3 — CID 56901291

IUPAC1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H23F3N2O3/c19-18(20,21)15-3-1-2-14(12-15)17(25)4-6-23(7-5-17)16(24)13-22-8-10-26-11-9-22/h1-3,12,25H,4-11,13H2
InChIKeyYXXBVIWZTLDSPQ-UHFFFAOYSA-N
MW372.39 g/mol
LogP1.85
Rot. Bonds3

About 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-morpholin-4-ylethanone

1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 56901291) has the molecular formula C18H23F3N2O3 and a molecular weight of 372.39 g/mol. Its IUPAC name is 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID56901291
Molecular FormulaC18H23F3N2O3
Molecular Weight372.39 g/mol
Exact Mass372.17
IUPAC Name1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H23F3N2O3/c19-18(20,21)15-3-1-2-14(12-15)17(25)4-6-23(7-5-17)16(24)13-22-8-10-26-11-9-22/h1-3,12,25H,4-11,13H2
InChIKeyYXXBVIWZTLDSPQ-UHFFFAOYSA-N
XLogP1.85
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 68523754
1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone
CID 10412060
1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 10343628
butane;2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 143404383
2-[4-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoethyl]piperazin-1-yl]pyridazin-3-one
CID 160729827
[(2R)-1,4-dioxan-2-yl]-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 95893815
2-morpholin-4-yl-1-[4-[4-[3-(trifluoromethyl)phenyl]butyl]piperazin-1-yl]ethanone
CID 91651791
1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 55116078
(2R)-2-hydroxy-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-3-methylbutan-1-one
CID 95873840
(2-fluorophenyl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 56912424
N-(furan-2-ylmethyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 119068027
5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 131943491

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-morpholin-4-ylethanone (CID 56901291) is 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is YXXBVIWZTLDSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O3/c19-18(20,21)15-3-1-2-14(12-15)17(25)4-6-23(7-5-17)16(24)13-22-8-10-26-11-9-22/h1-3,12,25H,4-11,13H2.
What are the key properties of 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 372.39 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 56901291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).