(2R,6S)-4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,6-dimethylmorpholine

C17H28N4O — CID 70727565

IUPAC(2R,6S)-4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,6-dimethylmorpholine
SMILESCc1cnc(C)c(N2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)n1
InChIInChI=1S/C17H28N4O/c1-12-9-18-15(4)17(19-12)20-7-5-16(6-8-20)21-10-13(2)22-14(3)11-21/h9,13-14,16H,5-8,10-11H2,1-4H3/t13-,14+
InChIKeyAUQPOWBYUYAEMU-OKILXGFUSA-N
MW304.44 g/mol
LogP2.17
Rot. Bonds2

About (2R,6S)-4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,6-dimethylmorpholine

(2R,6S)-4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,6-dimethylmorpholine (PubChem CID 70727565) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is (2R,6S)-4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,6-dimethylmorpholine
PubChem CID70727565
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name(2R,6S)-4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,6-dimethylmorpholine
SMILESCc1cnc(C)c(N2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)n1
InChIInChI=1S/C17H28N4O/c1-12-9-18-15(4)17(19-12)20-7-5-16(6-8-20)21-10-13(2)22-14(3)11-21/h9,13-14,16H,5-8,10-11H2,1-4H3/t13-,14+
InChIKeyAUQPOWBYUYAEMU-OKILXGFUSA-N
XLogP2.17
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,6-dimethylmorpholine (CID 70727565) is (2R,6S)-4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,6-dimethylmorpholine is Cc1cnc(C)c(N2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)n1.
What is the InChIKey of (2R,6S)-4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,6-dimethylmorpholine?
The InChIKey is AUQPOWBYUYAEMU-OKILXGFUSA-N. The full InChI is InChI=1S/C17H28N4O/c1-12-9-18-15(4)17(19-12)20-7-5-16(6-8-20)21-10-13(2)22-14(3)11-21/h9,13-14,16H,5-8,10-11H2,1-4H3/t13-,14+.
What are the key properties of (2R,6S)-4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,6-dimethylmorpholine?
(2R,6S)-4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,6-dimethylmorpholine has a molecular weight of 304.44 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 70727565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).