2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]morpholine

C32H36F4N2O2 — CID 67605531

IUPAC2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]morpholine
SMILESFc1cc(CCOC2OCCN(CCN3CCC(c4ccccc4)CC3)C2c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C32H36F4N2O2/c33-29-22-24(21-28(23-29)32(34,35)36)13-19-39-31-30(27-9-5-2-6-10-27)38(18-20-40-31)17-16-37-14-11-26(12-15-37)25-7-3-1-4-8-25/h1-10,21-23,26,30-31H,11-20H2
InChIKeyIENQSTDVCWBCQL-UHFFFAOYSA-N
MW556.64 g/mol
LogP6.68
Rot. Bonds9

About 2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]morpholine

2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]morpholine (PubChem CID 67605531) has the molecular formula C32H36F4N2O2 and a molecular weight of 556.64 g/mol. Its IUPAC name is 2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]morpholine.

Molecular Properties

Compound Name2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]morpholine
PubChem CID67605531
Molecular FormulaC32H36F4N2O2
Molecular Weight556.64 g/mol
Exact Mass556.27
IUPAC Name2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]morpholine
SMILESFc1cc(CCOC2OCCN(CCN3CCC(c4ccccc4)CC3)C2c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C32H36F4N2O2/c33-29-22-24(21-28(23-29)32(34,35)36)13-19-39-31-30(27-9-5-2-6-10-27)38(18-20-40-31)17-16-37-14-11-26(12-15-37)25-7-3-1-4-8-25/h1-10,21-23,26,30-31H,11-20H2
InChIKeyIENQSTDVCWBCQL-UHFFFAOYSA-N
XLogP6.68
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.64
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]morpholine?
The IUPAC name of 2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]morpholine (CID 67605531) is 2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]morpholine.
What is the SMILES notation for 2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]morpholine?
The canonical SMILES for 2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]morpholine is Fc1cc(CCOC2OCCN(CCN3CCC(c4ccccc4)CC3)C2c2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]morpholine?
The InChIKey is IENQSTDVCWBCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36F4N2O2/c33-29-22-24(21-28(23-29)32(34,35)36)13-19-39-31-30(27-9-5-2-6-10-27)38(18-20-40-31)17-16-37-14-11-26(12-15-37)25-7-3-1-4-8-25/h1-10,21-23,26,30-31H,11-20H2.
What are the key properties of 2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]morpholine?
2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]morpholine has a molecular weight of 556.64 g/mol, XLogP of 6.68, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]morpholine is sourced from PubChem (CID 67605531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).