(2,6-difluorophenyl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone

C18H16F3NO2 — CID 6487636

IUPAC(2,6-difluorophenyl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1c(F)cccc1F)N1CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H16F3NO2/c19-13-6-4-12(5-7-13)18(24)8-10-22(11-9-18)17(23)16-14(20)2-1-3-15(16)21/h1-7,24H,8-11H2
InChIKeyVDMBQPSCTHIYLI-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.23
Rot. Bonds2

About (2,6-difluorophenyl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone

(2,6-difluorophenyl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone (PubChem CID 6487636) has the molecular formula C18H16F3NO2 and a molecular weight of 335.33 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
PubChem CID6487636
Molecular FormulaC18H16F3NO2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC Name(2,6-difluorophenyl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1c(F)cccc1F)N1CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H16F3NO2/c19-13-6-4-12(5-7-13)18(24)8-10-22(11-9-18)17(23)16-14(20)2-1-3-15(16)21/h1-7,24H,8-11H2
InChIKeyVDMBQPSCTHIYLI-UHFFFAOYSA-N
XLogP3.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone (CID 6487636) is (2,6-difluorophenyl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone is O=C(c1c(F)cccc1F)N1CCC(O)(c2ccc(F)cc2)CC1.
What is the InChIKey of (2,6-difluorophenyl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone?
The InChIKey is VDMBQPSCTHIYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2/c19-13-6-4-12(5-7-13)18(24)8-10-22(11-9-18)17(23)16-14(20)2-1-3-15(16)21/h1-7,24H,8-11H2.
What are the key properties of (2,6-difluorophenyl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone?
(2,6-difluorophenyl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone has a molecular weight of 335.33 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 6487636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).