2-[1-[(5-aminopyrazin-2-yl)methyl]piperidin-4-yl]oxyethanol

C12H20N4O2 — CID 103056754

IUPAC2-[1-[(5-aminopyrazin-2-yl)methyl]piperidin-4-yl]oxyethanol
SMILESNc1cnc(CN2CCC(OCCO)CC2)cn1
InChIInChI=1S/C12H20N4O2/c13-12-8-14-10(7-15-12)9-16-3-1-11(2-4-16)18-6-5-17/h7-8,11,17H,1-6,9H2,(H2,13,15)
InChIKeyPHZJXVAIQNMUJN-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.03
Rot. Bonds5

About 2-[1-[(5-aminopyrazin-2-yl)methyl]piperidin-4-yl]oxyethanol

2-[1-[(5-aminopyrazin-2-yl)methyl]piperidin-4-yl]oxyethanol (PubChem CID 103056754) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[1-[(5-aminopyrazin-2-yl)methyl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[(5-aminopyrazin-2-yl)methyl]piperidin-4-yl]oxyethanol
PubChem CID103056754
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[1-[(5-aminopyrazin-2-yl)methyl]piperidin-4-yl]oxyethanol
SMILESNc1cnc(CN2CCC(OCCO)CC2)cn1
InChIInChI=1S/C12H20N4O2/c13-12-8-14-10(7-15-12)9-16-3-1-11(2-4-16)18-6-5-17/h7-8,11,17H,1-6,9H2,(H2,13,15)
InChIKeyPHZJXVAIQNMUJN-UHFFFAOYSA-N
XLogP0.03
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-aminopyrazin-2-yl)methyl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[(5-aminopyrazin-2-yl)methyl]piperidin-4-yl]oxyethanol (CID 103056754) is 2-[1-[(5-aminopyrazin-2-yl)methyl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[(5-aminopyrazin-2-yl)methyl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[(5-aminopyrazin-2-yl)methyl]piperidin-4-yl]oxyethanol is Nc1cnc(CN2CCC(OCCO)CC2)cn1.
What is the InChIKey of 2-[1-[(5-aminopyrazin-2-yl)methyl]piperidin-4-yl]oxyethanol?
The InChIKey is PHZJXVAIQNMUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c13-12-8-14-10(7-15-12)9-16-3-1-11(2-4-16)18-6-5-17/h7-8,11,17H,1-6,9H2,(H2,13,15).
What are the key properties of 2-[1-[(5-aminopyrazin-2-yl)methyl]piperidin-4-yl]oxyethanol?
2-[1-[(5-aminopyrazin-2-yl)methyl]piperidin-4-yl]oxyethanol has a molecular weight of 252.32 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-aminopyrazin-2-yl)methyl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 103056754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).