methyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate

C12H17N3O2 — CID 63205818

IUPACmethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ncc(C)cn2)CC1
InChIInChI=1S/C12H17N3O2/c1-9-7-13-12(14-8-9)15-5-3-10(4-6-15)11(16)17-2/h7-8,10H,3-6H2,1-2H3
InChIKeyPYIPYUXVBMHYMR-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.17
Rot. Bonds2

About methyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate

methyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate (PubChem CID 63205818) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is methyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate
PubChem CID63205818
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Namemethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ncc(C)cn2)CC1
InChIInChI=1S/C12H17N3O2/c1-9-7-13-12(14-8-9)15-5-3-10(4-6-15)11(16)17-2/h7-8,10H,3-6H2,1-2H3
InChIKeyPYIPYUXVBMHYMR-UHFFFAOYSA-N
XLogP1.17
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate (CID 63205818) is methyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate is COC(=O)C1CCN(c2ncc(C)cn2)CC1.
What is the InChIKey of methyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate?
The InChIKey is PYIPYUXVBMHYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-7-13-12(14-8-9)15-5-3-10(4-6-15)11(16)17-2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of methyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate?
methyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate has a molecular weight of 235.29 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 63205818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).