4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine

C18H30N4O — CID 133322391

IUPAC4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
SMILESCc1cc(N2CCCC(CN3CCOCC3)C2)nc(C(C)C)n1
InChIInChI=1S/C18H30N4O/c1-14(2)18-19-15(3)11-17(20-18)22-6-4-5-16(13-22)12-21-7-9-23-10-8-21/h11,14,16H,4-10,12-13H2,1-3H3
InChIKeyKGMYHGBCOODBGI-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.46
Rot. Bonds4

About 4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine

4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine (PubChem CID 133322391) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is 4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
PubChem CID133322391
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
SMILESCc1cc(N2CCCC(CN3CCOCC3)C2)nc(C(C)C)n1
InChIInChI=1S/C18H30N4O/c1-14(2)18-19-15(3)11-17(20-18)22-6-4-5-16(13-22)12-21-7-9-23-10-8-21/h11,14,16H,4-10,12-13H2,1-3H3
InChIKeyKGMYHGBCOODBGI-UHFFFAOYSA-N
XLogP2.46
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine (CID 133322391) is 4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine is Cc1cc(N2CCCC(CN3CCOCC3)C2)nc(C(C)C)n1.
What is the InChIKey of 4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine?
The InChIKey is KGMYHGBCOODBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-14(2)18-19-15(3)11-17(20-18)22-6-4-5-16(13-22)12-21-7-9-23-10-8-21/h11,14,16H,4-10,12-13H2,1-3H3.
What are the key properties of 4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine?
4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine has a molecular weight of 318.47 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine is sourced from PubChem (CID 133322391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).