4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]phenol

C17H16ClF3N2O2 — CID 70874734

IUPAC4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]phenol
SMILESOc1ccc(N2CCC(Oc3ncc(C(F)(F)F)cc3Cl)CC2)cc1
InChIInChI=1S/C17H16ClF3N2O2/c18-15-9-11(17(19,20)21)10-22-16(15)25-14-5-7-23(8-6-14)12-1-3-13(24)4-2-12/h1-4,9-10,14,24H,5-8H2
InChIKeyPPELYXRTUIZXOH-UHFFFAOYSA-N
MW372.77 g/mol
LogP4.51
Rot. Bonds3

About 4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]phenol

4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]phenol (PubChem CID 70874734) has the molecular formula C17H16ClF3N2O2 and a molecular weight of 372.77 g/mol. Its IUPAC name is 4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]phenol
PubChem CID70874734
Molecular FormulaC17H16ClF3N2O2
Molecular Weight372.77 g/mol
Exact Mass372.09
IUPAC Name4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]phenol
SMILESOc1ccc(N2CCC(Oc3ncc(C(F)(F)F)cc3Cl)CC2)cc1
InChIInChI=1S/C17H16ClF3N2O2/c18-15-9-11(17(19,20)21)10-22-16(15)25-14-5-7-23(8-6-14)12-1-3-13(24)4-2-12/h1-4,9-10,14,24H,5-8H2
InChIKeyPPELYXRTUIZXOH-UHFFFAOYSA-N
XLogP4.51
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.77
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]phenol?
The IUPAC name of 4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]phenol (CID 70874734) is 4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]phenol.
What is the SMILES notation for 4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]phenol?
The canonical SMILES for 4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]phenol is Oc1ccc(N2CCC(Oc3ncc(C(F)(F)F)cc3Cl)CC2)cc1.
What is the InChIKey of 4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]phenol?
The InChIKey is PPELYXRTUIZXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O2/c18-15-9-11(17(19,20)21)10-22-16(15)25-14-5-7-23(8-6-14)12-1-3-13(24)4-2-12/h1-4,9-10,14,24H,5-8H2.
What are the key properties of 4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]phenol?
4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]phenol has a molecular weight of 372.77 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]phenol is sourced from PubChem (CID 70874734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).