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

C13H24N6O — CID 56787472

IUPAC1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2nc(N)nc(N(C)C)n2)CC1
InChIInChI=1S/C13H24N6O/c1-9(20)10-4-6-19(7-5-10)8-11-15-12(14)17-13(16-11)18(2)3/h9-10,20H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyIONTVRULSRHGBJ-UHFFFAOYSA-N
MW280.38 g/mol
LogP0.11
Rot. Bonds4

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

1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol (PubChem CID 56787472) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol
PubChem CID56787472
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2nc(N)nc(N(C)C)n2)CC1
InChIInChI=1S/C13H24N6O/c1-9(20)10-4-6-19(7-5-10)8-11-15-12(14)17-13(16-11)18(2)3/h9-10,20H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyIONTVRULSRHGBJ-UHFFFAOYSA-N
XLogP0.11
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol with MolForge

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Related Compounds

1-[1-[4-(Dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperidin-4-yl]-2,2,2-trifluoroethanol
CID 133420794
1-[1-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-4-ol
CID 18124363
1-[1-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-ol
CID 47129740
[1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-yl]methanol
CID 55064655
1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-ol
CID 60669690
[1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]methanol
CID 60669835
1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]piperidin-4-ol
CID 60670253
[1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-3-yl]methanol
CID 60702713
[1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]piperidin-4-yl]methanol
CID 60968067
[1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]methanol
CID 62021578
2-[1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]ethanol
CID 62357340
2-[1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-3-yl]ethanol
CID 62357851

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol (CID 56787472) is 1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol is CC(O)C1CCN(Cc2nc(N)nc(N(C)C)n2)CC1.
What is the InChIKey of 1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol?
The InChIKey is IONTVRULSRHGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-9(20)10-4-6-19(7-5-10)8-11-15-12(14)17-13(16-11)18(2)3/h9-10,20H,4-8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol?
1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol has a molecular weight of 280.38 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 56787472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).