2-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidin-1-yl]ethanol

C15H26N4O2 — CID 133470345

IUPAC2-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidin-1-yl]ethanol
SMILESCC(C)Oc1nccnc1NCC1CCN(CCO)CC1
InChIInChI=1S/C15H26N4O2/c1-12(2)21-15-14(16-5-6-17-15)18-11-13-3-7-19(8-4-13)9-10-20/h5-6,12-13,20H,3-4,7-11H2,1-2H3,(H,16,18)
InChIKeyHJLHNFINKPUEHH-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.38
Rot. Bonds7

About 2-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidin-1-yl]ethanol

2-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidin-1-yl]ethanol (PubChem CID 133470345) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidin-1-yl]ethanol
PubChem CID133470345
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidin-1-yl]ethanol
SMILESCC(C)Oc1nccnc1NCC1CCN(CCO)CC1
InChIInChI=1S/C15H26N4O2/c1-12(2)21-15-14(16-5-6-17-15)18-11-13-3-7-19(8-4-13)9-10-20/h5-6,12-13,20H,3-4,7-11H2,1-2H3,(H,16,18)
InChIKeyHJLHNFINKPUEHH-UHFFFAOYSA-N
XLogP1.38
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidin-1-yl]ethanol (CID 133470345) is 2-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidin-1-yl]ethanol is CC(C)Oc1nccnc1NCC1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidin-1-yl]ethanol?
The InChIKey is HJLHNFINKPUEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-12(2)21-15-14(16-5-6-17-15)18-11-13-3-7-19(8-4-13)9-10-20/h5-6,12-13,20H,3-4,7-11H2,1-2H3,(H,16,18).
What are the key properties of 2-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidin-1-yl]ethanol?
2-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidin-1-yl]ethanol has a molecular weight of 294.40 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 133470345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).