2-[1-(2-hydroxyethyl)piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one

C12H19N3O2 — CID 136804062

IUPAC2-[1-(2-hydroxyethyl)piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C2CCCN(CCO)C2)n1
InChIInChI=1S/C12H19N3O2/c1-9-7-11(17)14-12(13-9)10-3-2-4-15(8-10)5-6-16/h7,10,16H,2-6,8H2,1H3,(H,13,14,17)
InChIKeyXCRJZTWRLDPHRJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.25
Rot. Bonds3

About 2-[1-(2-hydroxyethyl)piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one

2-[1-(2-hydroxyethyl)piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 136804062) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[1-(2-hydroxyethyl)piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-(2-hydroxyethyl)piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID136804062
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[1-(2-hydroxyethyl)piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C2CCCN(CCO)C2)n1
InChIInChI=1S/C12H19N3O2/c1-9-7-11(17)14-12(13-9)10-3-2-4-15(8-10)5-6-16/h7,10,16H,2-6,8H2,1H3,(H,13,14,17)
InChIKeyXCRJZTWRLDPHRJ-UHFFFAOYSA-N
XLogP0.25
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyethyl)piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-(2-hydroxyethyl)piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one (CID 136804062) is 2-[1-(2-hydroxyethyl)piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-(2-hydroxyethyl)piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-(2-hydroxyethyl)piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(C2CCCN(CCO)C2)n1.
What is the InChIKey of 2-[1-(2-hydroxyethyl)piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is XCRJZTWRLDPHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-7-11(17)14-12(13-9)10-3-2-4-15(8-10)5-6-16/h7,10,16H,2-6,8H2,1H3,(H,13,14,17).
What are the key properties of 2-[1-(2-hydroxyethyl)piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one?
2-[1-(2-hydroxyethyl)piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyethyl)piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136804062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).