2-[[5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol

C17H33N5O — CID 70710980

IUPAC2-[[5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol
SMILESCN(CCO)Cc1nnc(C2CCN(CC(C)(C)C)CC2)n1C
InChIInChI=1S/C17H33N5O/c1-17(2,3)13-22-8-6-14(7-9-22)16-19-18-15(21(16)5)12-20(4)10-11-23/h14,23H,6-13H2,1-5H3
InChIKeyZECMKMIYHNNJNN-UHFFFAOYSA-N
MW323.49 g/mol
LogP1.46
Rot. Bonds6

About 2-[[5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol

2-[[5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol (PubChem CID 70710980) has the molecular formula C17H33N5O and a molecular weight of 323.49 g/mol. Its IUPAC name is 2-[[5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[[5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol
PubChem CID70710980
Molecular FormulaC17H33N5O
Molecular Weight323.49 g/mol
Exact Mass323.27
IUPAC Name2-[[5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol
SMILESCN(CCO)Cc1nnc(C2CCN(CC(C)(C)C)CC2)n1C
InChIInChI=1S/C17H33N5O/c1-17(2,3)13-22-8-6-14(7-9-22)16-19-18-15(21(16)5)12-20(4)10-11-23/h14,23H,6-13H2,1-5H3
InChIKeyZECMKMIYHNNJNN-UHFFFAOYSA-N
XLogP1.46
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol?
The IUPAC name of 2-[[5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol (CID 70710980) is 2-[[5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol.
What is the SMILES notation for 2-[[5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol?
The canonical SMILES for 2-[[5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol is CN(CCO)Cc1nnc(C2CCN(CC(C)(C)C)CC2)n1C.
What is the InChIKey of 2-[[5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol?
The InChIKey is ZECMKMIYHNNJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N5O/c1-17(2,3)13-22-8-6-14(7-9-22)16-19-18-15(21(16)5)12-20(4)10-11-23/h14,23H,6-13H2,1-5H3.
What are the key properties of 2-[[5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol?
2-[[5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol has a molecular weight of 323.49 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol is sourced from PubChem (CID 70710980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).