[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride

C17H22ClF3N2O3 — CID 154893166

IUPAC[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride
SMILESCl.O=C(C1CNCCO1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H21F3N2O3.ClH/c18-17(19,20)13-3-1-2-12(10-13)16(24)4-7-22(8-5-16)15(23)14-11-21-6-9-25-14;/h1-3,10,14,21,24H,4-9,11H2;1H
InChIKeyNVADKXQUDSUMNN-UHFFFAOYSA-N
MW394.82 g/mol
LogP1.93
Rot. Bonds2

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

[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride (PubChem CID 154893166) has the molecular formula C17H22ClF3N2O3 and a molecular weight of 394.82 g/mol. Its IUPAC name is [4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride
PubChem CID154893166
Molecular FormulaC17H22ClF3N2O3
Molecular Weight394.82 g/mol
Exact Mass394.13
IUPAC Name[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride
SMILESCl.O=C(C1CNCCO1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H21F3N2O3.ClH/c18-17(19,20)13-3-1-2-12(10-13)16(24)4-7-22(8-5-16)15(23)14-11-21-6-9-25-14;/h1-3,10,14,21,24H,4-9,11H2;1H
InChIKeyNVADKXQUDSUMNN-UHFFFAOYSA-N
XLogP1.93
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.82
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1,4-dioxan-2-yl]-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 95893815
N-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]morpholine-2-carboxamide
CID 119806260
(2R)-2-hydroxy-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-3-methylbutan-1-one
CID 95873840
1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 56901291
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[(2S)-morpholin-2-yl]methanone
CID 124696733
[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 56904857
(2-fluorophenyl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 56912424
3-azaspiro[5.5]undecan-3-yl(morpholin-2-yl)methanone;hydrochloride
CID 119768999
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
N-[1-[3-(trifluoromethyl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119686341
(1-ethylpyrazol-4-yl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 56910663

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride?
The IUPAC name of [4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride (CID 154893166) is [4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride.
What is the SMILES notation for [4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride?
The canonical SMILES for [4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride is Cl.O=C(C1CNCCO1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of [4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride?
The InChIKey is NVADKXQUDSUMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O3.ClH/c18-17(19,20)13-3-1-2-12(10-13)16(24)4-7-22(8-5-16)15(23)14-11-21-6-9-25-14;/h1-3,10,14,21,24H,4-9,11H2;1H.
What are the key properties of [4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride?
[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride has a molecular weight of 394.82 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 154893166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).