(2R,6S)-4-(6-ethyl-4-fluoro-2-pyridinyl)-2,6-dimethylmorpholine

C13H19FN2O — CID 176956813

IUPAC(2R,6S)-4-(6-ethyl-4-fluoro-2-pyridinyl)-2,6-dimethylmorpholine
SMILESCCc1cc(F)cc(N2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C13H19FN2O/c1-4-12-5-11(14)6-13(15-12)16-7-9(2)17-10(3)8-16/h5-6,9-10H,4,7-8H2,1-3H3/t9-,10+
InChIKeyBXIZYXSAFLRLSI-AOOOYVTPSA-N
MW238.31 g/mol
LogP2.40
Rot. Bonds2

About (2R,6S)-4-(6-ethyl-4-fluoro-2-pyridinyl)-2,6-dimethylmorpholine

(2R,6S)-4-(6-ethyl-4-fluoro-2-pyridinyl)-2,6-dimethylmorpholine (PubChem CID 176956813) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is (2R,6S)-4-(6-ethyl-4-fluoro-2-pyridinyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-(6-ethyl-4-fluoro-2-pyridinyl)-2,6-dimethylmorpholine
PubChem CID176956813
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name(2R,6S)-4-(6-ethyl-4-fluoro-2-pyridinyl)-2,6-dimethylmorpholine
SMILESCCc1cc(F)cc(N2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C13H19FN2O/c1-4-12-5-11(14)6-13(15-12)16-7-9(2)17-10(3)8-16/h5-6,9-10H,4,7-8H2,1-3H3/t9-,10+
InChIKeyBXIZYXSAFLRLSI-AOOOYVTPSA-N
XLogP2.40
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-(6-ethyl-4-fluoro-2-pyridinyl)-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-(6-ethyl-4-fluoro-2-pyridinyl)-2,6-dimethylmorpholine (CID 176956813) is (2R,6S)-4-(6-ethyl-4-fluoro-2-pyridinyl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-(6-ethyl-4-fluoro-2-pyridinyl)-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-(6-ethyl-4-fluoro-2-pyridinyl)-2,6-dimethylmorpholine is CCc1cc(F)cc(N2C[C@@H](C)O[C@@H](C)C2)n1.
What is the InChIKey of (2R,6S)-4-(6-ethyl-4-fluoro-2-pyridinyl)-2,6-dimethylmorpholine?
The InChIKey is BXIZYXSAFLRLSI-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-4-12-5-11(14)6-13(15-12)16-7-9(2)17-10(3)8-16/h5-6,9-10H,4,7-8H2,1-3H3/t9-,10+.
What are the key properties of (2R,6S)-4-(6-ethyl-4-fluoro-2-pyridinyl)-2,6-dimethylmorpholine?
(2R,6S)-4-(6-ethyl-4-fluoro-2-pyridinyl)-2,6-dimethylmorpholine has a molecular weight of 238.31 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-(6-ethyl-4-fluoro-2-pyridinyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 176956813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).