methyl 6-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carboxylate

C13H19N3O3 — CID 66456369

IUPACmethyl 6-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N2CCCCC2CCO)n1
InChIInChI=1S/C13H19N3O3/c1-19-13(18)11-8-14-9-12(15-11)16-6-3-2-4-10(16)5-7-17/h8-10,17H,2-7H2,1H3
InChIKeyUWHRYUGLNLQPFG-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.00
Rot. Bonds4

About methyl 6-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carboxylate

methyl 6-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carboxylate (PubChem CID 66456369) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 6-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carboxylate
PubChem CID66456369
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 6-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N2CCCCC2CCO)n1
InChIInChI=1S/C13H19N3O3/c1-19-13(18)11-8-14-9-12(15-11)16-6-3-2-4-10(16)5-7-17/h8-10,17H,2-7H2,1H3
InChIKeyUWHRYUGLNLQPFG-UHFFFAOYSA-N
XLogP1.00
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-(2-ethylazepan-1-yl)pyrazine-2-carboxylate
CID 104690113
methyl 6-(2-cyclopentylpyrrolidin-1-yl)pyrazine-2-carboxylate
CID 66450885
methyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboxylate
CID 66456988
2-[1-(5,6-dimethylpyrazin-2-yl)piperidin-2-yl]ethanol
CID 114476751
methyl 6-(4-cyclopentylpiperazin-1-yl)pyrazine-2-carboxylate
CID 66449525
methyl 6-(4-methoxycarbonylpiperidin-1-yl)pyrazine-2-carboxylate
CID 66456031
methyl 6-(4-ethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 66456854
methyl 5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 104696638
methyl 4-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 54926768
methyl 6-[(1-methylpiperidin-2-yl)methylamino]pyrazine-2-carboxylate
CID 66457311
methyl 6-(4-methoxy-2-methylpiperidin-1-yl)pyrazine-2-carboxylate
CID 114221167
methyl 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylate
CID 66449740

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carboxylate (CID 66456369) is methyl 6-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carboxylate is COC(=O)c1cncc(N2CCCCC2CCO)n1.
What is the InChIKey of methyl 6-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carboxylate?
The InChIKey is UWHRYUGLNLQPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-19-13(18)11-8-14-9-12(15-11)16-6-3-2-4-10(16)5-7-17/h8-10,17H,2-7H2,1H3.
What are the key properties of methyl 6-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carboxylate?
methyl 6-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carboxylate is sourced from PubChem (CID 66456369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).