1-morpholin-4-yl-3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]propan-1-one

C16H27F3N2O2 — CID 26315521

IUPAC1-morpholin-4-yl-3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]propan-1-one
SMILESO=C(CCC1CCN(CCCC(F)(F)F)CC1)N1CCOCC1
InChIInChI=1S/C16H27F3N2O2/c17-16(18,19)6-1-7-20-8-4-14(5-9-20)2-3-15(22)21-10-12-23-13-11-21/h14H,1-13H2
InChIKeyVMJBALODVJZGSB-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.68
Rot. Bonds6

About 1-morpholin-4-yl-3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]propan-1-one

1-morpholin-4-yl-3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]propan-1-one (PubChem CID 26315521) has the molecular formula C16H27F3N2O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]propan-1-one
PubChem CID26315521
Molecular FormulaC16H27F3N2O2
Molecular Weight336.40 g/mol
Exact Mass336.20
IUPAC Name1-morpholin-4-yl-3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]propan-1-one
SMILESO=C(CCC1CCN(CCCC(F)(F)F)CC1)N1CCOCC1
InChIInChI=1S/C16H27F3N2O2/c17-16(18,19)6-1-7-20-8-4-14(5-9-20)2-3-15(22)21-10-12-23-13-11-21/h14H,1-13H2
InChIKeyVMJBALODVJZGSB-UHFFFAOYSA-N
XLogP2.68
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]propan-1-one (CID 26315521) is 1-morpholin-4-yl-3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]propan-1-one is O=C(CCC1CCN(CCCC(F)(F)F)CC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]propan-1-one?
The InChIKey is VMJBALODVJZGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N2O2/c17-16(18,19)6-1-7-20-8-4-14(5-9-20)2-3-15(22)21-10-12-23-13-11-21/h14H,1-13H2.
What are the key properties of 1-morpholin-4-yl-3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]propan-1-one?
1-morpholin-4-yl-3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]propan-1-one has a molecular weight of 336.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]propan-1-one is sourced from PubChem (CID 26315521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).