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

C16H26N4O2 — CID 50954831

IUPAC(2R,6S)-4-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-2,6-dimethylmorpholine
SMILESCOc1cc(N2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)ncn1
InChIInChI=1S/C16H26N4O2/c1-12-9-20(10-13(2)22-12)14-4-6-19(7-5-14)15-8-16(21-3)18-11-17-15/h8,11-14H,4-7,9-10H2,1-3H3/t12-,13+
InChIKeyDAMGUDJRPOHVIM-BETUJISGSA-N
MW306.41 g/mol
LogP1.56
Rot. Bonds3

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

(2R,6S)-4-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-2,6-dimethylmorpholine (PubChem CID 50954831) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2R,6S)-4-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-2,6-dimethylmorpholine
PubChem CID50954831
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(2R,6S)-4-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-2,6-dimethylmorpholine
SMILESCOc1cc(N2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)ncn1
InChIInChI=1S/C16H26N4O2/c1-12-9-20(10-13(2)22-12)14-4-6-19(7-5-14)15-8-16(21-3)18-11-17-15/h8,11-14H,4-7,9-10H2,1-3H3/t12-,13+
InChIKeyDAMGUDJRPOHVIM-BETUJISGSA-N
XLogP1.56
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-2,6-dimethylmorpholine (CID 50954831) is (2R,6S)-4-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-2,6-dimethylmorpholine is COc1cc(N2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)ncn1.
What is the InChIKey of (2R,6S)-4-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-2,6-dimethylmorpholine?
The InChIKey is DAMGUDJRPOHVIM-BETUJISGSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12-9-20(10-13(2)22-12)14-4-6-19(7-5-14)15-8-16(21-3)18-11-17-15/h8,11-14H,4-7,9-10H2,1-3H3/t12-,13+.
What are the key properties of (2R,6S)-4-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-2,6-dimethylmorpholine?
(2R,6S)-4-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-2,6-dimethylmorpholine has a molecular weight of 306.41 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 50954831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).