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

C13H19N3O2 — CID 55162045

IUPACethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncc(C)cn2)CC1
InChIInChI=1S/C13H19N3O2/c1-3-18-12(17)11-4-6-16(7-5-11)13-14-8-10(2)9-15-13/h8-9,11H,3-7H2,1-2H3
InChIKeyLWFWJNIIXFVALY-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.56
Rot. Bonds3

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

ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate (PubChem CID 55162045) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate
PubChem CID55162045
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Nameethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncc(C)cn2)CC1
InChIInChI=1S/C13H19N3O2/c1-3-18-12(17)11-4-6-16(7-5-11)13-14-8-10(2)9-15-13/h8-9,11H,3-7H2,1-2H3
InChIKeyLWFWJNIIXFVALY-UHFFFAOYSA-N
XLogP1.56
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate (CID 55162045) is ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ncc(C)cn2)CC1.
What is the InChIKey of ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate?
The InChIKey is LWFWJNIIXFVALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-18-12(17)11-4-6-16(7-5-11)13-14-8-10(2)9-15-13/h8-9,11H,3-7H2,1-2H3.
What are the key properties of ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate?
ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 55162045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).