4-methyl-1-[[5-(methylamino)pyrazin-2-yl]methyl]piperidin-3-ol

C12H20N4O — CID 103056974

IUPAC4-methyl-1-[[5-(methylamino)pyrazin-2-yl]methyl]piperidin-3-ol
SMILESCNc1cnc(CN2CCC(C)C(O)C2)cn1
InChIInChI=1S/C12H20N4O/c1-9-3-4-16(8-11(9)17)7-10-5-15-12(13-2)6-14-10/h5-6,9,11,17H,3-4,7-8H2,1-2H3,(H,13,15)
InChIKeyRPPXWJFIANLTDP-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.72
Rot. Bonds3

About 4-methyl-1-[[5-(methylamino)pyrazin-2-yl]methyl]piperidin-3-ol

4-methyl-1-[[5-(methylamino)pyrazin-2-yl]methyl]piperidin-3-ol (PubChem CID 103056974) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-methyl-1-[[5-(methylamino)pyrazin-2-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name4-methyl-1-[[5-(methylamino)pyrazin-2-yl]methyl]piperidin-3-ol
PubChem CID103056974
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-methyl-1-[[5-(methylamino)pyrazin-2-yl]methyl]piperidin-3-ol
SMILESCNc1cnc(CN2CCC(C)C(O)C2)cn1
InChIInChI=1S/C12H20N4O/c1-9-3-4-16(8-11(9)17)7-10-5-15-12(13-2)6-14-10/h5-6,9,11,17H,3-4,7-8H2,1-2H3,(H,13,15)
InChIKeyRPPXWJFIANLTDP-UHFFFAOYSA-N
XLogP0.72
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[5-(methylamino)pyrazin-2-yl]methyl]piperidin-3-ol?
The IUPAC name of 4-methyl-1-[[5-(methylamino)pyrazin-2-yl]methyl]piperidin-3-ol (CID 103056974) is 4-methyl-1-[[5-(methylamino)pyrazin-2-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 4-methyl-1-[[5-(methylamino)pyrazin-2-yl]methyl]piperidin-3-ol?
The canonical SMILES for 4-methyl-1-[[5-(methylamino)pyrazin-2-yl]methyl]piperidin-3-ol is CNc1cnc(CN2CCC(C)C(O)C2)cn1.
What is the InChIKey of 4-methyl-1-[[5-(methylamino)pyrazin-2-yl]methyl]piperidin-3-ol?
The InChIKey is RPPXWJFIANLTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-3-4-16(8-11(9)17)7-10-5-15-12(13-2)6-14-10/h5-6,9,11,17H,3-4,7-8H2,1-2H3,(H,13,15).
What are the key properties of 4-methyl-1-[[5-(methylamino)pyrazin-2-yl]methyl]piperidin-3-ol?
4-methyl-1-[[5-(methylamino)pyrazin-2-yl]methyl]piperidin-3-ol has a molecular weight of 236.32 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[5-(methylamino)pyrazin-2-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 103056974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).