(2R,6S)-4-(3,5-dimethylpiperidin-4-yl)-2,6-dimethylmorpholine

C13H26N2O — CID 165463507

IUPAC(2R,6S)-4-(3,5-dimethylpiperidin-4-yl)-2,6-dimethylmorpholine
SMILESCC1CNCC(C)C1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C13H26N2O/c1-9-5-14-6-10(2)13(9)15-7-11(3)16-12(4)8-15/h9-14H,5-8H2,1-4H3/t9?,10?,11-,12+,13?
InChIKeyJRXAFXCGPCZSIK-ACDMLXGOSA-N
MW226.36 g/mol
LogP1.34
Rot. Bonds1

About (2R,6S)-4-(3,5-dimethylpiperidin-4-yl)-2,6-dimethylmorpholine

(2R,6S)-4-(3,5-dimethylpiperidin-4-yl)-2,6-dimethylmorpholine (PubChem CID 165463507) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (2R,6S)-4-(3,5-dimethylpiperidin-4-yl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-(3,5-dimethylpiperidin-4-yl)-2,6-dimethylmorpholine
PubChem CID165463507
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(2R,6S)-4-(3,5-dimethylpiperidin-4-yl)-2,6-dimethylmorpholine
SMILESCC1CNCC(C)C1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C13H26N2O/c1-9-5-14-6-10(2)13(9)15-7-11(3)16-12(4)8-15/h9-14H,5-8H2,1-4H3/t9?,10?,11-,12+,13?
InChIKeyJRXAFXCGPCZSIK-ACDMLXGOSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-(3,5-dimethylpiperidin-4-yl)-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-(3,5-dimethylpiperidin-4-yl)-2,6-dimethylmorpholine (CID 165463507) is (2R,6S)-4-(3,5-dimethylpiperidin-4-yl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-(3,5-dimethylpiperidin-4-yl)-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-(3,5-dimethylpiperidin-4-yl)-2,6-dimethylmorpholine is CC1CNCC(C)C1N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (2R,6S)-4-(3,5-dimethylpiperidin-4-yl)-2,6-dimethylmorpholine?
The InChIKey is JRXAFXCGPCZSIK-ACDMLXGOSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9-5-14-6-10(2)13(9)15-7-11(3)16-12(4)8-15/h9-14H,5-8H2,1-4H3/t9?,10?,11-,12+,13?.
What are the key properties of (2R,6S)-4-(3,5-dimethylpiperidin-4-yl)-2,6-dimethylmorpholine?
(2R,6S)-4-(3,5-dimethylpiperidin-4-yl)-2,6-dimethylmorpholine has a molecular weight of 226.36 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-(3,5-dimethylpiperidin-4-yl)-2,6-dimethylmorpholine is sourced from PubChem (CID 165463507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).