(2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine;2,2,2-trifluoroacetic acid

C13H23F3N2O3 — CID 146455492

IUPAC(2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine;2,2,2-trifluoroacetic acid
SMILESC[C@@H]1CN(C2CCNCC2)C[C@H](C)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H22N2O.C2HF3O2/c1-9-7-13(8-10(2)14-9)11-3-5-12-6-4-11;3-2(4,5)1(6)7/h9-12H,3-8H2,1-2H3;(H,6,7)/t9-,10+;
InChIKeyLZKAZSOBMOIWSN-JMVWIVNTSA-N
MW312.33 g/mol
LogP1.48
Rot. Bonds1

About (2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine;2,2,2-trifluoroacetic acid

(2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine;2,2,2-trifluoroacetic acid (PubChem CID 146455492) has the molecular formula C13H23F3N2O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine;2,2,2-trifluoroacetic acid
PubChem CID146455492
Molecular FormulaC13H23F3N2O3
Molecular Weight312.33 g/mol
Exact Mass312.17
IUPAC Name(2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine;2,2,2-trifluoroacetic acid
SMILESC[C@@H]1CN(C2CCNCC2)C[C@H](C)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H22N2O.C2HF3O2/c1-9-7-13(8-10(2)14-9)11-3-5-12-6-4-11;3-2(4,5)1(6)7/h9-12H,3-8H2,1-2H3;(H,6,7)/t9-,10+;
InChIKeyLZKAZSOBMOIWSN-JMVWIVNTSA-N
XLogP1.48
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine;2,2,2-trifluoroacetic acid?
The IUPAC name of (2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine;2,2,2-trifluoroacetic acid (CID 146455492) is (2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine;2,2,2-trifluoroacetic acid is C[C@@H]1CN(C2CCNCC2)C[C@H](C)O1.O=C(O)C(F)(F)F.
What is the InChIKey of (2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine;2,2,2-trifluoroacetic acid?
The InChIKey is LZKAZSOBMOIWSN-JMVWIVNTSA-N. The full InChI is InChI=1S/C11H22N2O.C2HF3O2/c1-9-7-13(8-10(2)14-9)11-3-5-12-6-4-11;3-2(4,5)1(6)7/h9-12H,3-8H2,1-2H3;(H,6,7)/t9-,10+;.
What are the key properties of (2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine;2,2,2-trifluoroacetic acid?
(2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine;2,2,2-trifluoroacetic acid has a molecular weight of 312.33 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146455492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).