4-[2-[4-[6-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]-2H-pyridin-4-yl]cyclohexyl]oxyethyl]morpholine

C26H35F3N2O2 — CID 176921526

IUPAC4-[2-[4-[6-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]-2H-pyridin-4-yl]cyclohexyl]oxyethyl]morpholine
SMILESCC1=CC(C2CCC(OCCN3CCOCC3)CC2)=CCN1c1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C26H35F3N2O2/c1-20-18-23(10-11-31(20)24-6-2-21(3-7-24)19-26(27,28)29)22-4-8-25(9-5-22)33-17-14-30-12-15-32-16-13-30/h2-3,6-7,10,18,22,25H,4-5,8-9,11-17,19H2,1H3
InChIKeyZFGLHURWPDXXMK-UHFFFAOYSA-N
MW464.57 g/mol
LogP5.35
Rot. Bonds7

About 4-[2-[4-[6-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]-2H-pyridin-4-yl]cyclohexyl]oxyethyl]morpholine

4-[2-[4-[6-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]-2H-pyridin-4-yl]cyclohexyl]oxyethyl]morpholine (PubChem CID 176921526) has the molecular formula C26H35F3N2O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is 4-[2-[4-[6-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]-2H-pyridin-4-yl]cyclohexyl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[6-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]-2H-pyridin-4-yl]cyclohexyl]oxyethyl]morpholine
PubChem CID176921526
Molecular FormulaC26H35F3N2O2
Molecular Weight464.57 g/mol
Exact Mass464.27
IUPAC Name4-[2-[4-[6-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]-2H-pyridin-4-yl]cyclohexyl]oxyethyl]morpholine
SMILESCC1=CC(C2CCC(OCCN3CCOCC3)CC2)=CCN1c1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C26H35F3N2O2/c1-20-18-23(10-11-31(20)24-6-2-21(3-7-24)19-26(27,28)29)22-4-8-25(9-5-22)33-17-14-30-12-15-32-16-13-30/h2-3,6-7,10,18,22,25H,4-5,8-9,11-17,19H2,1H3
InChIKeyZFGLHURWPDXXMK-UHFFFAOYSA-N
XLogP5.35
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[6-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]-2H-pyridin-4-yl]cyclohexyl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[4-[6-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]-2H-pyridin-4-yl]cyclohexyl]oxyethyl]morpholine (CID 176921526) is 4-[2-[4-[6-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]-2H-pyridin-4-yl]cyclohexyl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[6-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]-2H-pyridin-4-yl]cyclohexyl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[4-[6-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]-2H-pyridin-4-yl]cyclohexyl]oxyethyl]morpholine is CC1=CC(C2CCC(OCCN3CCOCC3)CC2)=CCN1c1ccc(CC(F)(F)F)cc1.
What is the InChIKey of 4-[2-[4-[6-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]-2H-pyridin-4-yl]cyclohexyl]oxyethyl]morpholine?
The InChIKey is ZFGLHURWPDXXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35F3N2O2/c1-20-18-23(10-11-31(20)24-6-2-21(3-7-24)19-26(27,28)29)22-4-8-25(9-5-22)33-17-14-30-12-15-32-16-13-30/h2-3,6-7,10,18,22,25H,4-5,8-9,11-17,19H2,1H3.
What are the key properties of 4-[2-[4-[6-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]-2H-pyridin-4-yl]cyclohexyl]oxyethyl]morpholine?
4-[2-[4-[6-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]-2H-pyridin-4-yl]cyclohexyl]oxyethyl]morpholine has a molecular weight of 464.57 g/mol, XLogP of 5.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[6-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]-2H-pyridin-4-yl]cyclohexyl]oxyethyl]morpholine is sourced from PubChem (CID 176921526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).