(4-hydroxypiperidin-1-yl)-[2-(trifluoromethoxy)phenyl]methanone

C13H14F3NO3 — CID 111463148

IUPAC(4-hydroxypiperidin-1-yl)-[2-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccccc1OC(F)(F)F)N1CCC(O)CC1
InChIInChI=1S/C13H14F3NO3/c14-13(15,16)20-11-4-2-1-3-10(11)12(19)17-7-5-9(18)6-8-17/h1-4,9,18H,5-8H2
InChIKeyISCMHBONYIWBDX-UHFFFAOYSA-N
MW289.25 g/mol
LogP2.18
Rot. Bonds2

About (4-hydroxypiperidin-1-yl)-[2-(trifluoromethoxy)phenyl]methanone

(4-hydroxypiperidin-1-yl)-[2-(trifluoromethoxy)phenyl]methanone (PubChem CID 111463148) has the molecular formula C13H14F3NO3 and a molecular weight of 289.25 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[2-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[2-(trifluoromethoxy)phenyl]methanone
PubChem CID111463148
Molecular FormulaC13H14F3NO3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC Name(4-hydroxypiperidin-1-yl)-[2-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccccc1OC(F)(F)F)N1CCC(O)CC1
InChIInChI=1S/C13H14F3NO3/c14-13(15,16)20-11-4-2-1-3-10(11)12(19)17-7-5-9(18)6-8-17/h1-4,9,18H,5-8H2
InChIKeyISCMHBONYIWBDX-UHFFFAOYSA-N
XLogP2.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 172646299
[2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43391804
(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)-[2-(trifluoromethoxy)phenyl]methanone
CID 121192039
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 110023701
(4-hydroxypiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone
CID 43417500
2-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 68991016
[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 122334401
5-methyl-1-[2-(trifluoromethoxy)benzoyl]piperidine-3-carboxylic acid
CID 122117455
[3-(4-fluorophenyl)azepan-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 121146325
[2-amino-4-(trifluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 172563826
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
[2-(difluoromethoxy)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029867

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[2-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[2-(trifluoromethoxy)phenyl]methanone (CID 111463148) is (4-hydroxypiperidin-1-yl)-[2-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[2-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[2-(trifluoromethoxy)phenyl]methanone is O=C(c1ccccc1OC(F)(F)F)N1CCC(O)CC1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[2-(trifluoromethoxy)phenyl]methanone?
The InChIKey is ISCMHBONYIWBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO3/c14-13(15,16)20-11-4-2-1-3-10(11)12(19)17-7-5-9(18)6-8-17/h1-4,9,18H,5-8H2.
What are the key properties of (4-hydroxypiperidin-1-yl)-[2-(trifluoromethoxy)phenyl]methanone?
(4-hydroxypiperidin-1-yl)-[2-(trifluoromethoxy)phenyl]methanone has a molecular weight of 289.25 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[2-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 111463148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).