2-hydroxy-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]ethanone

C12H17N3O2 — CID 110269395

IUPAC2-hydroxy-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(CO)N1CCCC(Cc2ncccn2)C1
InChIInChI=1S/C12H17N3O2/c16-9-12(17)15-6-1-3-10(8-15)7-11-13-4-2-5-14-11/h2,4-5,10,16H,1,3,6-9H2
InChIKeyQKOFCKLFCLOHIF-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.25
Rot. Bonds3

About 2-hydroxy-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]ethanone

2-hydroxy-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 110269395) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-hydroxy-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]ethanone
PubChem CID110269395
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-hydroxy-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(CO)N1CCCC(Cc2ncccn2)C1
InChIInChI=1S/C12H17N3O2/c16-9-12(17)15-6-1-3-10(8-15)7-11-13-4-2-5-14-11/h2,4-5,10,16H,1,3,6-9H2
InChIKeyQKOFCKLFCLOHIF-UHFFFAOYSA-N
XLogP0.25
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]ethanone (CID 110269395) is 2-hydroxy-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]ethanone is O=C(CO)N1CCCC(Cc2ncccn2)C1.
What is the InChIKey of 2-hydroxy-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is QKOFCKLFCLOHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-9-12(17)15-6-1-3-10(8-15)7-11-13-4-2-5-14-11/h2,4-5,10,16H,1,3,6-9H2.
What are the key properties of 2-hydroxy-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]ethanone?
2-hydroxy-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 235.29 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110269395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).