[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methanol

C12H19N3O — CID 60634247

IUPAC[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methanol
SMILESCc1cnc(C)c(N2CCCC(CO)C2)n1
InChIInChI=1S/C12H19N3O/c1-9-6-13-10(2)12(14-9)15-5-3-4-11(7-15)8-16/h6,11,16H,3-5,7-8H2,1-2H3
InChIKeyVXHOESMGJUQZDQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.30
Rot. Bonds2

About [1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methanol

[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methanol (PubChem CID 60634247) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methanol
PubChem CID60634247
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methanol
SMILESCc1cnc(C)c(N2CCCC(CO)C2)n1
InChIInChI=1S/C12H19N3O/c1-9-6-13-10(2)12(14-9)15-5-3-4-11(7-15)8-16/h6,11,16H,3-5,7-8H2,1-2H3
InChIKeyVXHOESMGJUQZDQ-UHFFFAOYSA-N
XLogP1.30
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methanol?
The IUPAC name of [1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methanol (CID 60634247) is [1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methanol is Cc1cnc(C)c(N2CCCC(CO)C2)n1.
What is the InChIKey of [1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methanol?
The InChIKey is VXHOESMGJUQZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-6-13-10(2)12(14-9)15-5-3-4-11(7-15)8-16/h6,11,16H,3-5,7-8H2,1-2H3.
What are the key properties of [1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methanol?
[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methanol has a molecular weight of 221.30 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 60634247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).