1-[6-(2-cyclopropyl-6-methylmorpholin-4-yl)pyrimidin-4-yl]-4-methylpiperidin-4-ol

C18H28N4O2 — CID 122154466

IUPAC1-[6-(2-cyclopropyl-6-methylmorpholin-4-yl)pyrimidin-4-yl]-4-methylpiperidin-4-ol
SMILESCC1CN(c2cc(N3CCC(C)(O)CC3)ncn2)CC(C2CC2)O1
InChIInChI=1S/C18H28N4O2/c1-13-10-22(11-15(24-13)14-3-4-14)17-9-16(19-12-20-17)21-7-5-18(2,23)6-8-21/h9,12-15,23H,3-8,10-11H2,1-2H3
InChIKeyVNJFVMWXHHCOQG-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.83
Rot. Bonds3

About 1-[6-(2-cyclopropyl-6-methylmorpholin-4-yl)pyrimidin-4-yl]-4-methylpiperidin-4-ol

1-[6-(2-cyclopropyl-6-methylmorpholin-4-yl)pyrimidin-4-yl]-4-methylpiperidin-4-ol (PubChem CID 122154466) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[6-(2-cyclopropyl-6-methylmorpholin-4-yl)pyrimidin-4-yl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[6-(2-cyclopropyl-6-methylmorpholin-4-yl)pyrimidin-4-yl]-4-methylpiperidin-4-ol
PubChem CID122154466
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-[6-(2-cyclopropyl-6-methylmorpholin-4-yl)pyrimidin-4-yl]-4-methylpiperidin-4-ol
SMILESCC1CN(c2cc(N3CCC(C)(O)CC3)ncn2)CC(C2CC2)O1
InChIInChI=1S/C18H28N4O2/c1-13-10-22(11-15(24-13)14-3-4-14)17-9-16(19-12-20-17)21-7-5-18(2,23)6-8-21/h9,12-15,23H,3-8,10-11H2,1-2H3
InChIKeyVNJFVMWXHHCOQG-UHFFFAOYSA-N
XLogP1.83
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-cyclopropyl-6-methylmorpholin-4-yl)pyrimidin-4-yl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[6-(2-cyclopropyl-6-methylmorpholin-4-yl)pyrimidin-4-yl]-4-methylpiperidin-4-ol (CID 122154466) is 1-[6-(2-cyclopropyl-6-methylmorpholin-4-yl)pyrimidin-4-yl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[6-(2-cyclopropyl-6-methylmorpholin-4-yl)pyrimidin-4-yl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[6-(2-cyclopropyl-6-methylmorpholin-4-yl)pyrimidin-4-yl]-4-methylpiperidin-4-ol is CC1CN(c2cc(N3CCC(C)(O)CC3)ncn2)CC(C2CC2)O1.
What is the InChIKey of 1-[6-(2-cyclopropyl-6-methylmorpholin-4-yl)pyrimidin-4-yl]-4-methylpiperidin-4-ol?
The InChIKey is VNJFVMWXHHCOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13-10-22(11-15(24-13)14-3-4-14)17-9-16(19-12-20-17)21-7-5-18(2,23)6-8-21/h9,12-15,23H,3-8,10-11H2,1-2H3.
What are the key properties of 1-[6-(2-cyclopropyl-6-methylmorpholin-4-yl)pyrimidin-4-yl]-4-methylpiperidin-4-ol?
1-[6-(2-cyclopropyl-6-methylmorpholin-4-yl)pyrimidin-4-yl]-4-methylpiperidin-4-ol has a molecular weight of 332.45 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-cyclopropyl-6-methylmorpholin-4-yl)pyrimidin-4-yl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 122154466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).