[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

C18H23F3N2O3 — CID 26328748

IUPAC[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1
InChIInChI=1S/C18H23F3N2O3/c19-18(20,21)14-4-2-1-3-13(14)17(26)23-10-7-15(16(25)11-23)22-8-5-12(24)6-9-22/h1-4,12,15-16,24-25H,5-11H2/t15-,16-/m1/s1
InChIKeyOCNHUNOSVUQDSH-HZPDHXFCSA-N
MW372.39 g/mol
LogP1.74
Rot. Bonds2

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

[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 26328748) has the molecular formula C18H23F3N2O3 and a molecular weight of 372.39 g/mol. Its IUPAC name is [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID26328748
Molecular FormulaC18H23F3N2O3
Molecular Weight372.39 g/mol
Exact Mass372.17
IUPAC Name[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1
InChIInChI=1S/C18H23F3N2O3/c19-18(20,21)14-4-2-1-3-13(14)17(26)23-10-7-15(16(25)11-23)22-8-5-12(24)6-9-22/h1-4,12,15-16,24-25H,5-11H2/t15-,16-/m1/s1
InChIKeyOCNHUNOSVUQDSH-HZPDHXFCSA-N
XLogP1.74
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone with MolForge

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Related Compounds

(4-fluorophenyl)-[1-[(3S,4S)-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-4-yl]piperidin-4-yl]methanone
CID 53391632
[4-(2,6-Dimethylmorpholin-4-yl)piperidin-1-yl]-phenylmethanone
CID 660329
4-Fluorophenyl 4-morpholin-4-ylpiperidyl ketone
CID 754216
[(3R,4R)-4-hydroxy-3-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone
CID 10316732
Ethyl 4-{1-[2-(trifluoromethyl)benzoyl]-3-piperidinyl}-1-piperazinecarboxylate
CID 24793135
[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidino)piperidino]-(3-phenylphenyl)methanone
CID 24817881
[(3R,4R)-4-hydroxy-3-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone;hydrochloride
CID 49861239
[(3R,4R)-4-hydroxy-3-(4-phenylpiperidin-1-yl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride
CID 49861246
[(3R,4R)-4-hydroxy-3-(4-phenylpiperidin-1-yl)piperidin-1-yl]-(2-iodophenyl)methanone;hydrochloride
CID 49861248
[(3R,4R)-4-hydroxy-3-(4-phenylpiperidin-1-yl)piperidin-1-yl]-(3-iodophenyl)methanone;hydrochloride
CID 49861252
[1-[(3S,4S)-1-benzyl-3-hydroxypiperidin-4-yl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 53391634
[1-[(3S,4S)-1-benzoyl-3-hydroxypiperidin-4-yl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 53391833

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 26328748) is [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccccc1C(F)(F)F)N1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1.
What is the InChIKey of [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is OCNHUNOSVUQDSH-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H23F3N2O3/c19-18(20,21)14-4-2-1-3-13(14)17(26)23-10-7-15(16(25)11-23)22-8-5-12(24)6-9-22/h1-4,12,15-16,24-25H,5-11H2/t15-,16-/m1/s1.
What are the key properties of [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 372.39 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 26328748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).