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

C14H26N6O — CID 111114118

IUPAC1-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(C(C)c2nc(N)nc(N(C)C)n2)CC1
InChIInChI=1S/C14H26N6O/c1-9(20-7-5-11(6-8-20)10(2)21)12-16-13(15)18-14(17-12)19(3)4/h9-11,21H,5-8H2,1-4H3,(H2,15,16,17,18)
InChIKeyGLPRQUZTRHNEAN-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.67
Rot. Bonds4

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

1-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-4-yl]ethanol (PubChem CID 111114118) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-4-yl]ethanol
PubChem CID111114118
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name1-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(C(C)c2nc(N)nc(N(C)C)n2)CC1
InChIInChI=1S/C14H26N6O/c1-9(20-7-5-11(6-8-20)10(2)21)12-16-13(15)18-14(17-12)19(3)4/h9-11,21H,5-8H2,1-4H3,(H2,15,16,17,18)
InChIKeyGLPRQUZTRHNEAN-UHFFFAOYSA-N
XLogP0.67
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-4-yl]ethanol (CID 111114118) is 1-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-4-yl]ethanol is CC(O)C1CCN(C(C)c2nc(N)nc(N(C)C)n2)CC1.
What is the InChIKey of 1-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-4-yl]ethanol?
The InChIKey is GLPRQUZTRHNEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-9(20-7-5-11(6-8-20)10(2)21)12-16-13(15)18-14(17-12)19(3)4/h9-11,21H,5-8H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 1-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-4-yl]ethanol?
1-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-4-yl]ethanol has a molecular weight of 294.40 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 111114118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).