(2R,6S)-4-(3-fluoro-6-propan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine

C14H21FN2O — CID 176666417

IUPAC(2R,6S)-4-(3-fluoro-6-propan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine
SMILESCC(C)c1ccc(F)c(N2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C14H21FN2O/c1-9(2)13-6-5-12(15)14(16-13)17-7-10(3)18-11(4)8-17/h5-6,9-11H,7-8H2,1-4H3/t10-,11+
InChIKeyIWGXGGFUPQJNNS-PHIMTYICSA-N
MW252.33 g/mol
LogP2.96
Rot. Bonds2

About (2R,6S)-4-(3-fluoro-6-propan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine

(2R,6S)-4-(3-fluoro-6-propan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine (PubChem CID 176666417) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is (2R,6S)-4-(3-fluoro-6-propan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-(3-fluoro-6-propan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine
PubChem CID176666417
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name(2R,6S)-4-(3-fluoro-6-propan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine
SMILESCC(C)c1ccc(F)c(N2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C14H21FN2O/c1-9(2)13-6-5-12(15)14(16-13)17-7-10(3)18-11(4)8-17/h5-6,9-11H,7-8H2,1-4H3/t10-,11+
InChIKeyIWGXGGFUPQJNNS-PHIMTYICSA-N
XLogP2.96
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R,6S)-4-(3-fluoro-6-propan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-(3-fluoro-6-propan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-(3-fluoro-6-propan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine (CID 176666417) is (2R,6S)-4-(3-fluoro-6-propan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-(3-fluoro-6-propan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-(3-fluoro-6-propan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine is CC(C)c1ccc(F)c(N2C[C@@H](C)O[C@@H](C)C2)n1.
What is the InChIKey of (2R,6S)-4-(3-fluoro-6-propan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine?
The InChIKey is IWGXGGFUPQJNNS-PHIMTYICSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-9(2)13-6-5-12(15)14(16-13)17-7-10(3)18-11(4)8-17/h5-6,9-11H,7-8H2,1-4H3/t10-,11+.
What are the key properties of (2R,6S)-4-(3-fluoro-6-propan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine?
(2R,6S)-4-(3-fluoro-6-propan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine has a molecular weight of 252.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-(3-fluoro-6-propan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 176666417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).