(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone

C18H17F3N2O2 — CID 16668138

IUPAC(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCC(O)(c2ccccn2)CC1
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)14-5-3-4-13(12-14)16(24)23-10-7-17(25,8-11-23)15-6-1-2-9-22-15/h1-6,9,12,25H,7-8,10-11H2
InChIKeyLRKABZADQBPKAV-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.22
Rot. Bonds2

About (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone

(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 16668138) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
PubChem CID16668138
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCC(O)(c2ccccn2)CC1
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)14-5-3-4-13(12-14)16(24)23-10-7-17(25,8-11-23)15-6-1-2-9-22-15/h1-6,9,12,25H,7-8,10-11H2
InChIKeyLRKABZADQBPKAV-UHFFFAOYSA-N
XLogP3.22
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone (CID 16668138) is (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)N1CCC(O)(c2ccccn2)CC1.
What is the InChIKey of (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is LRKABZADQBPKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c19-18(20,21)14-5-3-4-13(12-14)16(24)23-10-7-17(25,8-11-23)15-6-1-2-9-22-15/h1-6,9,12,25H,7-8,10-11H2.
What are the key properties of (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone?
(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 350.34 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 16668138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).