methyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboxylate

C12H17N3O3 — CID 66456988

IUPACmethyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N2CCC(CO)CC2)n1
InChIInChI=1S/C12H17N3O3/c1-18-12(17)10-6-13-7-11(14-10)15-4-2-9(8-16)3-5-15/h6-7,9,16H,2-5,8H2,1H3
InChIKeySORMTVSQRVANIA-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.47
Rot. Bonds3

About methyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboxylate

methyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboxylate (PubChem CID 66456988) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboxylate
PubChem CID66456988
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N2CCC(CO)CC2)n1
InChIInChI=1S/C12H17N3O3/c1-18-12(17)10-6-13-7-11(14-10)15-4-2-9(8-16)3-5-15/h6-7,9,16H,2-5,8H2,1H3
InChIKeySORMTVSQRVANIA-UHFFFAOYSA-N
XLogP0.47
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-(4-ethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 66456854
methyl 6-(4-methoxycarbonylpiperidin-1-yl)pyrazine-2-carboxylate
CID 66456031
2-[1-(6-methoxycarbonylpyrazin-2-yl)pyrrolidin-3-yl]acetic acid
CID 66455444
methyl 6-(4-cyclopentylpiperazin-1-yl)pyrazine-2-carboxylate
CID 66449525
methyl 6-[3-(dimethylamino)pyrrolidin-1-yl]pyrazine-2-carboxylate
CID 66449146
methyl 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylate
CID 66449740
3-[4-(6-methoxycarbonylpyrazin-2-yl)piperazin-1-yl]propanoic acid
CID 66454587
methyl 6-(3-ethoxypiperidin-1-yl)pyrazine-2-carboxylate
CID 66451057
[1-(6-aminopyrazin-2-yl)piperidin-4-yl]methanol
CID 78988791
methyl 6-(2-ethylazepan-1-yl)pyrazine-2-carboxylate
CID 104690113
methyl 6-(4-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate
CID 66449175
methyl 6-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carboxylate
CID 66456369

Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboxylate (CID 66456988) is methyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboxylate is COC(=O)c1cncc(N2CCC(CO)CC2)n1.
What is the InChIKey of methyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboxylate?
The InChIKey is SORMTVSQRVANIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-18-12(17)10-6-13-7-11(14-10)15-4-2-9(8-16)3-5-15/h6-7,9,16H,2-5,8H2,1H3.
What are the key properties of methyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboxylate?
methyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboxylate is sourced from PubChem (CID 66456988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).