2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine

C18H18F4N2O3S — CID 71798800

IUPAC2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H18F4N2O3S/c19-15-4-1-13(2-5-15)12-28(25,26)24-9-7-16(8-10-24)27-17-6-3-14(11-23-17)18(20,21)22/h1-6,11,16H,7-10,12H2
InChIKeyFUGHAEIQIIGORQ-UHFFFAOYSA-N
MW418.41 g/mol
LogP3.61
Rot. Bonds5

About 2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine

2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine (PubChem CID 71798800) has the molecular formula C18H18F4N2O3S and a molecular weight of 418.41 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine
PubChem CID71798800
Molecular FormulaC18H18F4N2O3S
Molecular Weight418.41 g/mol
Exact Mass418.10
IUPAC Name2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H18F4N2O3S/c19-15-4-1-13(2-5-15)12-28(25,26)24-9-7-16(8-10-24)27-17-6-3-14(11-23-17)18(20,21)22/h1-6,11,16H,7-10,12H2
InChIKeyFUGHAEIQIIGORQ-UHFFFAOYSA-N
XLogP3.61
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine (CID 71798800) is 2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine is O=S(=O)(Cc1ccc(F)cc1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine?
The InChIKey is FUGHAEIQIIGORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N2O3S/c19-15-4-1-13(2-5-15)12-28(25,26)24-9-7-16(8-10-24)27-17-6-3-14(11-23-17)18(20,21)22/h1-6,11,16H,7-10,12H2.
What are the key properties of 2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine?
2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine has a molecular weight of 418.41 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 71798800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).