(2R,6S)-2,6-dimethyl-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine

C15H27F3N2O — CID 97092861

IUPAC(2R,6S)-2,6-dimethyl-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine
SMILESC[C@@H]1CN(CCC2CCN(CC(F)(F)F)CC2)C[C@H](C)O1
InChIInChI=1S/C15H27F3N2O/c1-12-9-20(10-13(2)21-12)8-5-14-3-6-19(7-4-14)11-15(16,17)18/h12-14H,3-11H2,1-2H3/t12-,13+
InChIKeyYXFJDYBIHYYYGS-BETUJISGSA-N
MW308.39 g/mol
LogP2.76
Rot. Bonds4

About (2R,6S)-2,6-dimethyl-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine

(2R,6S)-2,6-dimethyl-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine (PubChem CID 97092861) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine
PubChem CID97092861
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name(2R,6S)-2,6-dimethyl-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine
SMILESC[C@@H]1CN(CCC2CCN(CC(F)(F)F)CC2)C[C@H](C)O1
InChIInChI=1S/C15H27F3N2O/c1-12-9-20(10-13(2)21-12)8-5-14-3-6-19(7-4-14)11-15(16,17)18/h12-14H,3-11H2,1-2H3/t12-,13+
InChIKeyYXFJDYBIHYYYGS-BETUJISGSA-N
XLogP2.76
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine?
The IUPAC name of (2R,6S)-2,6-dimethyl-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine (CID 97092861) is (2R,6S)-2,6-dimethyl-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine?
The canonical SMILES for (2R,6S)-2,6-dimethyl-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine is C[C@@H]1CN(CCC2CCN(CC(F)(F)F)CC2)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-2,6-dimethyl-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine?
The InChIKey is YXFJDYBIHYYYGS-BETUJISGSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-12-9-20(10-13(2)21-12)8-5-14-3-6-19(7-4-14)11-15(16,17)18/h12-14H,3-11H2,1-2H3/t12-,13+.
What are the key properties of (2R,6S)-2,6-dimethyl-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine?
(2R,6S)-2,6-dimethyl-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine has a molecular weight of 308.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine is sourced from PubChem (CID 97092861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).