2-morpholin-4-yl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone

C13H21F3N2O3 — CID 110011696

IUPAC2-morpholin-4-yl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCOCC1)N1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C13H21F3N2O3/c14-13(15,16)12(20)10-1-3-18(4-2-10)11(19)9-17-5-7-21-8-6-17/h10,12,20H,1-9H2
InChIKeyKFTBYWSEDWMMRS-UHFFFAOYSA-N
MW310.32 g/mol
LogP0.48
Rot. Bonds3

About 2-morpholin-4-yl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone

2-morpholin-4-yl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone (PubChem CID 110011696) has the molecular formula C13H21F3N2O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-morpholin-4-yl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone
PubChem CID110011696
Molecular FormulaC13H21F3N2O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC Name2-morpholin-4-yl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCOCC1)N1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C13H21F3N2O3/c14-13(15,16)12(20)10-1-3-18(4-2-10)11(19)9-17-5-7-21-8-6-17/h10,12,20H,1-9H2
InChIKeyKFTBYWSEDWMMRS-UHFFFAOYSA-N
XLogP0.48
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-morpholin-4-yl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone (CID 110011696) is 2-morpholin-4-yl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-morpholin-4-yl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-morpholin-4-yl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone is O=C(CN1CCOCC1)N1CCC(C(O)C(F)(F)F)CC1.
What is the InChIKey of 2-morpholin-4-yl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone?
The InChIKey is KFTBYWSEDWMMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O3/c14-13(15,16)12(20)10-1-3-18(4-2-10)11(19)9-17-5-7-21-8-6-17/h10,12,20H,1-9H2.
What are the key properties of 2-morpholin-4-yl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone?
2-morpholin-4-yl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone has a molecular weight of 310.32 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110011696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).