2-methyl-2-phenyl-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine

C20H26N4O — CID 133379583

IUPAC2-methyl-2-phenyl-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine
SMILESCC1(c2ccccc2)CN(c2cc(N3CCCCC3)ncn2)CCO1
InChIInChI=1S/C20H26N4O/c1-20(17-8-4-2-5-9-17)15-24(12-13-25-20)19-14-18(21-16-22-19)23-10-6-3-7-11-23/h2,4-5,8-9,14,16H,3,6-7,10-13,15H2,1H3
InChIKeyLXQFWLOJRUKZJR-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.22
Rot. Bonds3

About 2-methyl-2-phenyl-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine

2-methyl-2-phenyl-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine (PubChem CID 133379583) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-methyl-2-phenyl-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name2-methyl-2-phenyl-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine
PubChem CID133379583
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name2-methyl-2-phenyl-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine
SMILESCC1(c2ccccc2)CN(c2cc(N3CCCCC3)ncn2)CCO1
InChIInChI=1S/C20H26N4O/c1-20(17-8-4-2-5-9-17)15-24(12-13-25-20)19-14-18(21-16-22-19)23-10-6-3-7-11-23/h2,4-5,8-9,14,16H,3,6-7,10-13,15H2,1H3
InChIKeyLXQFWLOJRUKZJR-UHFFFAOYSA-N
XLogP3.22
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-3-carbonitrile
CID 133379476
4-(2-tert-butylpyrimidin-4-yl)-2-methyl-2-phenylmorpholine
CID 133379561
2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-2-phenylmorpholine
CID 133379685
5-(2-methyl-2-phenylmorpholin-4-yl)pyrazine-2-carbonitrile
CID 133491418
2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-2-phenylmorpholine
CID 133379484
6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-2-carbonitrile
CID 133379490
4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-2-phenylmorpholine
CID 133379648
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
4-(5-chloro-3-fluoro-2-pyridinyl)-2-methyl-2-phenylmorpholine
CID 133379497
2-(2-methyl-2-phenylmorpholin-4-yl)quinoline-6-carbonitrile
CID 166196558
6-(2-methyl-2-phenylmorpholin-4-yl)pyrazine-2-carboxamide
CID 133379493
4-(1H-benzimidazol-2-yl)-2-methyl-2-phenylmorpholine
CID 133410916

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine?
The IUPAC name of 2-methyl-2-phenyl-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine (CID 133379583) is 2-methyl-2-phenyl-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 2-methyl-2-phenyl-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine?
The canonical SMILES for 2-methyl-2-phenyl-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine is CC1(c2ccccc2)CN(c2cc(N3CCCCC3)ncn2)CCO1.
What is the InChIKey of 2-methyl-2-phenyl-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine?
The InChIKey is LXQFWLOJRUKZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-20(17-8-4-2-5-9-17)15-24(12-13-25-20)19-14-18(21-16-22-19)23-10-6-3-7-11-23/h2,4-5,8-9,14,16H,3,6-7,10-13,15H2,1H3.
What are the key properties of 2-methyl-2-phenyl-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine?
2-methyl-2-phenyl-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine has a molecular weight of 338.45 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 133379583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).