2-[3-[(1-methylpiperidin-4-yl)methyl]-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol

C19H32N6O — CID 72856162

IUPAC2-[3-[(1-methylpiperidin-4-yl)methyl]-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol
SMILESCC(C)c1nccn1C(C)c1nc(CC2CCN(C)CC2)nn1CCO
InChIInChI=1S/C19H32N6O/c1-14(2)18-20-7-10-24(18)15(3)19-21-17(22-25(19)11-12-26)13-16-5-8-23(4)9-6-16/h7,10,14-16,26H,5-6,8-9,11-13H2,1-4H3
InChIKeyRRWNDHBCEBEWPA-UHFFFAOYSA-N
MW360.51 g/mol
LogP2.08
Rot. Bonds7

About 2-[3-[(1-methylpiperidin-4-yl)methyl]-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol

2-[3-[(1-methylpiperidin-4-yl)methyl]-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol (PubChem CID 72856162) has the molecular formula C19H32N6O and a molecular weight of 360.51 g/mol. Its IUPAC name is 2-[3-[(1-methylpiperidin-4-yl)methyl]-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[(1-methylpiperidin-4-yl)methyl]-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol
PubChem CID72856162
Molecular FormulaC19H32N6O
Molecular Weight360.51 g/mol
Exact Mass360.26
IUPAC Name2-[3-[(1-methylpiperidin-4-yl)methyl]-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol
SMILESCC(C)c1nccn1C(C)c1nc(CC2CCN(C)CC2)nn1CCO
InChIInChI=1S/C19H32N6O/c1-14(2)18-20-7-10-24(18)15(3)19-21-17(22-25(19)11-12-26)13-16-5-8-23(4)9-6-16/h7,10,14-16,26H,5-6,8-9,11-13H2,1-4H3
InChIKeyRRWNDHBCEBEWPA-UHFFFAOYSA-N
XLogP2.08
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-methylpiperidin-4-yl)methyl]-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[3-[(1-methylpiperidin-4-yl)methyl]-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol (CID 72856162) is 2-[3-[(1-methylpiperidin-4-yl)methyl]-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-[(1-methylpiperidin-4-yl)methyl]-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[3-[(1-methylpiperidin-4-yl)methyl]-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol is CC(C)c1nccn1C(C)c1nc(CC2CCN(C)CC2)nn1CCO.
What is the InChIKey of 2-[3-[(1-methylpiperidin-4-yl)methyl]-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol?
The InChIKey is RRWNDHBCEBEWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O/c1-14(2)18-20-7-10-24(18)15(3)19-21-17(22-25(19)11-12-26)13-16-5-8-23(4)9-6-16/h7,10,14-16,26H,5-6,8-9,11-13H2,1-4H3.
What are the key properties of 2-[3-[(1-methylpiperidin-4-yl)methyl]-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol?
2-[3-[(1-methylpiperidin-4-yl)methyl]-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol has a molecular weight of 360.51 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-methylpiperidin-4-yl)methyl]-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 72856162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).