1-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethanone

C14H21N3O2 — CID 134160503

IUPAC1-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(COc2ncnc(C)c2C)CC1
InChIInChI=1S/C14H21N3O2/c1-10-11(2)15-9-16-14(10)19-8-13-4-6-17(7-5-13)12(3)18/h9,13H,4-8H2,1-3H3
InChIKeyPQVAJZNNAQYETM-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.73
Rot. Bonds3

About 1-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethanone

1-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethanone (PubChem CID 134160503) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethanone
PubChem CID134160503
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(COc2ncnc(C)c2C)CC1
InChIInChI=1S/C14H21N3O2/c1-10-11(2)15-9-16-14(10)19-8-13-4-6-17(7-5-13)12(3)18/h9,13H,4-8H2,1-3H3
InChIKeyPQVAJZNNAQYETM-UHFFFAOYSA-N
XLogP1.73
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethanone (CID 134160503) is 1-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(COc2ncnc(C)c2C)CC1.
What is the InChIKey of 1-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethanone?
The InChIKey is PQVAJZNNAQYETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-11(2)15-9-16-14(10)19-8-13-4-6-17(7-5-13)12(3)18/h9,13H,4-8H2,1-3H3.
What are the key properties of 1-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethanone?
1-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethanone has a molecular weight of 263.34 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 134160503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).