6-[4-(2-methoxyethoxy)piperidin-1-yl]pyrazin-2-amine

C12H20N4O2 — CID 146044881

IUPAC6-[4-(2-methoxyethoxy)piperidin-1-yl]pyrazin-2-amine
SMILESCOCCOC1CCN(c2cncc(N)n2)CC1
InChIInChI=1S/C12H20N4O2/c1-17-6-7-18-10-2-4-16(5-3-10)12-9-14-8-11(13)15-12/h8-10H,2-7H2,1H3,(H2,13,15)
InChIKeyKACIFSIBJBYOFK-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.69
Rot. Bonds5

About 6-[4-(2-methoxyethoxy)piperidin-1-yl]pyrazin-2-amine

6-[4-(2-methoxyethoxy)piperidin-1-yl]pyrazin-2-amine (PubChem CID 146044881) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-[4-(2-methoxyethoxy)piperidin-1-yl]pyrazin-2-amine.

Molecular Properties

Compound Name6-[4-(2-methoxyethoxy)piperidin-1-yl]pyrazin-2-amine
PubChem CID146044881
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name6-[4-(2-methoxyethoxy)piperidin-1-yl]pyrazin-2-amine
SMILESCOCCOC1CCN(c2cncc(N)n2)CC1
InChIInChI=1S/C12H20N4O2/c1-17-6-7-18-10-2-4-16(5-3-10)12-9-14-8-11(13)15-12/h8-10H,2-7H2,1H3,(H2,13,15)
InChIKeyKACIFSIBJBYOFK-UHFFFAOYSA-N
XLogP0.69
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methoxyethoxy)piperidin-1-yl]pyrazin-2-amine?
The IUPAC name of 6-[4-(2-methoxyethoxy)piperidin-1-yl]pyrazin-2-amine (CID 146044881) is 6-[4-(2-methoxyethoxy)piperidin-1-yl]pyrazin-2-amine.
What is the SMILES notation for 6-[4-(2-methoxyethoxy)piperidin-1-yl]pyrazin-2-amine?
The canonical SMILES for 6-[4-(2-methoxyethoxy)piperidin-1-yl]pyrazin-2-amine is COCCOC1CCN(c2cncc(N)n2)CC1.
What is the InChIKey of 6-[4-(2-methoxyethoxy)piperidin-1-yl]pyrazin-2-amine?
The InChIKey is KACIFSIBJBYOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-17-6-7-18-10-2-4-16(5-3-10)12-9-14-8-11(13)15-12/h8-10H,2-7H2,1H3,(H2,13,15).
What are the key properties of 6-[4-(2-methoxyethoxy)piperidin-1-yl]pyrazin-2-amine?
6-[4-(2-methoxyethoxy)piperidin-1-yl]pyrazin-2-amine has a molecular weight of 252.32 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methoxyethoxy)piperidin-1-yl]pyrazin-2-amine is sourced from PubChem (CID 146044881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).