4-[2-[1,1,1-trifluoro-2-[1-(3-fluorophenyl)piperidin-3-yl]propan-2-yl]-4-pyridinyl]morpholine

C23H27F4N3O — CID 171540458

IUPAC4-[2-[1,1,1-trifluoro-2-[1-(3-fluorophenyl)piperidin-3-yl]propan-2-yl]-4-pyridinyl]morpholine
SMILESCC(c1cc(N2CCOCC2)ccn1)(C1CCCN(c2cccc(F)c2)C1)C(F)(F)F
InChIInChI=1S/C23H27F4N3O/c1-22(23(25,26)27,21-15-20(7-8-28-21)29-10-12-31-13-11-29)17-4-3-9-30(16-17)19-6-2-5-18(24)14-19/h2,5-8,14-15,17H,3-4,9-13,16H2,1H3
InChIKeyQJENFXKHXSRBJS-UHFFFAOYSA-N
MW437.48 g/mol
LogP4.79
Rot. Bonds4

About 4-[2-[1,1,1-trifluoro-2-[1-(3-fluorophenyl)piperidin-3-yl]propan-2-yl]-4-pyridinyl]morpholine

4-[2-[1,1,1-trifluoro-2-[1-(3-fluorophenyl)piperidin-3-yl]propan-2-yl]-4-pyridinyl]morpholine (PubChem CID 171540458) has the molecular formula C23H27F4N3O and a molecular weight of 437.48 g/mol. Its IUPAC name is 4-[2-[1,1,1-trifluoro-2-[1-(3-fluorophenyl)piperidin-3-yl]propan-2-yl]-4-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[2-[1,1,1-trifluoro-2-[1-(3-fluorophenyl)piperidin-3-yl]propan-2-yl]-4-pyridinyl]morpholine
PubChem CID171540458
Molecular FormulaC23H27F4N3O
Molecular Weight437.48 g/mol
Exact Mass437.21
IUPAC Name4-[2-[1,1,1-trifluoro-2-[1-(3-fluorophenyl)piperidin-3-yl]propan-2-yl]-4-pyridinyl]morpholine
SMILESCC(c1cc(N2CCOCC2)ccn1)(C1CCCN(c2cccc(F)c2)C1)C(F)(F)F
InChIInChI=1S/C23H27F4N3O/c1-22(23(25,26)27,21-15-20(7-8-28-21)29-10-12-31-13-11-29)17-4-3-9-30(16-17)19-6-2-5-18(24)14-19/h2,5-8,14-15,17H,3-4,9-13,16H2,1H3
InChIKeyQJENFXKHXSRBJS-UHFFFAOYSA-N
XLogP4.79
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1,1,1-trifluoro-2-[1-(3-fluorophenyl)piperidin-3-yl]propan-2-yl]-4-pyridinyl]morpholine?
The IUPAC name of 4-[2-[1,1,1-trifluoro-2-[1-(3-fluorophenyl)piperidin-3-yl]propan-2-yl]-4-pyridinyl]morpholine (CID 171540458) is 4-[2-[1,1,1-trifluoro-2-[1-(3-fluorophenyl)piperidin-3-yl]propan-2-yl]-4-pyridinyl]morpholine.
What is the SMILES notation for 4-[2-[1,1,1-trifluoro-2-[1-(3-fluorophenyl)piperidin-3-yl]propan-2-yl]-4-pyridinyl]morpholine?
The canonical SMILES for 4-[2-[1,1,1-trifluoro-2-[1-(3-fluorophenyl)piperidin-3-yl]propan-2-yl]-4-pyridinyl]morpholine is CC(c1cc(N2CCOCC2)ccn1)(C1CCCN(c2cccc(F)c2)C1)C(F)(F)F.
What is the InChIKey of 4-[2-[1,1,1-trifluoro-2-[1-(3-fluorophenyl)piperidin-3-yl]propan-2-yl]-4-pyridinyl]morpholine?
The InChIKey is QJENFXKHXSRBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F4N3O/c1-22(23(25,26)27,21-15-20(7-8-28-21)29-10-12-31-13-11-29)17-4-3-9-30(16-17)19-6-2-5-18(24)14-19/h2,5-8,14-15,17H,3-4,9-13,16H2,1H3.
What are the key properties of 4-[2-[1,1,1-trifluoro-2-[1-(3-fluorophenyl)piperidin-3-yl]propan-2-yl]-4-pyridinyl]morpholine?
4-[2-[1,1,1-trifluoro-2-[1-(3-fluorophenyl)piperidin-3-yl]propan-2-yl]-4-pyridinyl]morpholine has a molecular weight of 437.48 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1,1,1-trifluoro-2-[1-(3-fluorophenyl)piperidin-3-yl]propan-2-yl]-4-pyridinyl]morpholine is sourced from PubChem (CID 171540458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).