2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]ethanol

C11H20N6O — CID 62357340

IUPAC2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]ethanol
SMILESNc1nc(N)nc(CN2CCCC(CCO)C2)n1
InChIInChI=1S/C11H20N6O/c12-10-14-9(15-11(13)16-10)7-17-4-1-2-8(6-17)3-5-18/h8,18H,1-7H2,(H4,12,13,14,15,16)
InChIKeyARCCJRNMPUHTGL-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.37
Rot. Bonds4

About 2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]ethanol

2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]ethanol (PubChem CID 62357340) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]ethanol
PubChem CID62357340
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]ethanol
SMILESNc1nc(N)nc(CN2CCCC(CCO)C2)n1
InChIInChI=1S/C11H20N6O/c12-10-14-9(15-11(13)16-10)7-17-4-1-2-8(6-17)3-5-18/h8,18H,1-7H2,(H4,12,13,14,15,16)
InChIKeyARCCJRNMPUHTGL-UHFFFAOYSA-N
XLogP-0.37
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]ethanol (CID 62357340) is 2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]ethanol is Nc1nc(N)nc(CN2CCCC(CCO)C2)n1.
What is the InChIKey of 2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]ethanol?
The InChIKey is ARCCJRNMPUHTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c12-10-14-9(15-11(13)16-10)7-17-4-1-2-8(6-17)3-5-18/h8,18H,1-7H2,(H4,12,13,14,15,16).
What are the key properties of 2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]ethanol?
2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]ethanol has a molecular weight of 252.32 g/mol, XLogP of -0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 62357340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).