2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]ethanol

C12H20N4O — CID 95817134

IUPAC2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]ethanol
SMILESCNc1cncc(C2CCN(CCO)CC2)n1
InChIInChI=1S/C12H20N4O/c1-13-12-9-14-8-11(15-12)10-2-4-16(5-3-10)6-7-17/h8-10,17H,2-7H2,1H3,(H,13,15)
InChIKeyPWFNCVYYBALUEX-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.69
Rot. Bonds4

About 2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]ethanol

2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]ethanol (PubChem CID 95817134) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]ethanol
PubChem CID95817134
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]ethanol
SMILESCNc1cncc(C2CCN(CCO)CC2)n1
InChIInChI=1S/C12H20N4O/c1-13-12-9-14-8-11(15-12)10-2-4-16(5-3-10)6-7-17/h8-10,17H,2-7H2,1H3,(H,13,15)
InChIKeyPWFNCVYYBALUEX-UHFFFAOYSA-N
XLogP0.69
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]ethanol (CID 95817134) is 2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]ethanol is CNc1cncc(C2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]ethanol?
The InChIKey is PWFNCVYYBALUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-13-12-9-14-8-11(15-12)10-2-4-16(5-3-10)6-7-17/h8-10,17H,2-7H2,1H3,(H,13,15).
What are the key properties of 2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]ethanol?
2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]ethanol has a molecular weight of 236.32 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 95817134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).