1-(3-hydroxy-4-methylpiperidin-1-yl)-2-[methyl(pyrimidin-2-yl)amino]ethanone

C13H20N4O2 — CID 102958607

IUPAC1-(3-hydroxy-4-methylpiperidin-1-yl)-2-[methyl(pyrimidin-2-yl)amino]ethanone
SMILESCC1CCN(C(=O)CN(C)c2ncccn2)CC1O
InChIInChI=1S/C13H20N4O2/c1-10-4-7-17(8-11(10)18)12(19)9-16(2)13-14-5-3-6-15-13/h3,5-6,10-11,18H,4,7-9H2,1-2H3
InChIKeyBRBRXWCZZBIKKO-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.14
Rot. Bonds3

About 1-(3-hydroxy-4-methylpiperidin-1-yl)-2-[methyl(pyrimidin-2-yl)amino]ethanone

1-(3-hydroxy-4-methylpiperidin-1-yl)-2-[methyl(pyrimidin-2-yl)amino]ethanone (PubChem CID 102958607) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(3-hydroxy-4-methylpiperidin-1-yl)-2-[methyl(pyrimidin-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(3-hydroxy-4-methylpiperidin-1-yl)-2-[methyl(pyrimidin-2-yl)amino]ethanone
PubChem CID102958607
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-(3-hydroxy-4-methylpiperidin-1-yl)-2-[methyl(pyrimidin-2-yl)amino]ethanone
SMILESCC1CCN(C(=O)CN(C)c2ncccn2)CC1O
InChIInChI=1S/C13H20N4O2/c1-10-4-7-17(8-11(10)18)12(19)9-16(2)13-14-5-3-6-15-13/h3,5-6,10-11,18H,4,7-9H2,1-2H3
InChIKeyBRBRXWCZZBIKKO-UHFFFAOYSA-N
XLogP0.14
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-methylpiperidin-1-yl)-2-[methyl(pyrimidin-2-yl)amino]ethanone?
The IUPAC name of 1-(3-hydroxy-4-methylpiperidin-1-yl)-2-[methyl(pyrimidin-2-yl)amino]ethanone (CID 102958607) is 1-(3-hydroxy-4-methylpiperidin-1-yl)-2-[methyl(pyrimidin-2-yl)amino]ethanone.
What is the SMILES notation for 1-(3-hydroxy-4-methylpiperidin-1-yl)-2-[methyl(pyrimidin-2-yl)amino]ethanone?
The canonical SMILES for 1-(3-hydroxy-4-methylpiperidin-1-yl)-2-[methyl(pyrimidin-2-yl)amino]ethanone is CC1CCN(C(=O)CN(C)c2ncccn2)CC1O.
What is the InChIKey of 1-(3-hydroxy-4-methylpiperidin-1-yl)-2-[methyl(pyrimidin-2-yl)amino]ethanone?
The InChIKey is BRBRXWCZZBIKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10-4-7-17(8-11(10)18)12(19)9-16(2)13-14-5-3-6-15-13/h3,5-6,10-11,18H,4,7-9H2,1-2H3.
What are the key properties of 1-(3-hydroxy-4-methylpiperidin-1-yl)-2-[methyl(pyrimidin-2-yl)amino]ethanone?
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-[methyl(pyrimidin-2-yl)amino]ethanone has a molecular weight of 264.33 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-4-methylpiperidin-1-yl)-2-[methyl(pyrimidin-2-yl)amino]ethanone is sourced from PubChem (CID 102958607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).