(2R)-2-hydroxy-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone

C19H25F3N2O3 — CID 95715119

IUPAC(2R)-2-hydroxy-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C([C@H](O)c1ccc(C(F)(F)F)cc1)N1CCC(N2CCC(O)CC2)CC1
InChIInChI=1S/C19H25F3N2O3/c20-19(21,22)14-3-1-13(2-4-14)17(26)18(27)24-9-5-15(6-10-24)23-11-7-16(25)8-12-23/h1-4,15-17,25-26H,5-12H2/t17-/m1/s1
InChIKeyYNADMCCYWBNPCZ-QGZVFWFLSA-N
MW386.41 g/mol
LogP2.19
Rot. Bonds3

About (2R)-2-hydroxy-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone

(2R)-2-hydroxy-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 95715119) has the molecular formula C19H25F3N2O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is (2R)-2-hydroxy-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name(2R)-2-hydroxy-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID95715119
Molecular FormulaC19H25F3N2O3
Molecular Weight386.41 g/mol
Exact Mass386.18
IUPAC Name(2R)-2-hydroxy-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C([C@H](O)c1ccc(C(F)(F)F)cc1)N1CCC(N2CCC(O)CC2)CC1
InChIInChI=1S/C19H25F3N2O3/c20-19(21,22)14-3-1-13(2-4-14)17(26)18(27)24-9-5-15(6-10-24)23-11-7-16(25)8-12-23/h1-4,15-17,25-26H,5-12H2/t17-/m1/s1
InChIKeyYNADMCCYWBNPCZ-QGZVFWFLSA-N
XLogP2.19
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of (2R)-2-hydroxy-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone (CID 95715119) is (2R)-2-hydroxy-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for (2R)-2-hydroxy-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for (2R)-2-hydroxy-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone is O=C([C@H](O)c1ccc(C(F)(F)F)cc1)N1CCC(N2CCC(O)CC2)CC1.
What is the InChIKey of (2R)-2-hydroxy-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is YNADMCCYWBNPCZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25F3N2O3/c20-19(21,22)14-3-1-13(2-4-14)17(26)18(27)24-9-5-15(6-10-24)23-11-7-16(25)8-12-23/h1-4,15-17,25-26H,5-12H2/t17-/m1/s1.
What are the key properties of (2R)-2-hydroxy-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone?
(2R)-2-hydroxy-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 386.41 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 95715119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).