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

C18H33N5O — CID 70738024

IUPAC2-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol
SMILESCN(CCO)Cc1nnc(C2CCN(C3CCCCC3)CC2)n1C
InChIInChI=1S/C18H33N5O/c1-21(12-13-24)14-17-19-20-18(22(17)2)15-8-10-23(11-9-15)16-6-4-3-5-7-16/h15-16,24H,3-14H2,1-2H3
InChIKeyAOWQLLPQSRRWLW-UHFFFAOYSA-N
MW335.50 g/mol
LogP1.75
Rot. Bonds6

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

2-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol (PubChem CID 70738024) has the molecular formula C18H33N5O and a molecular weight of 335.50 g/mol. Its IUPAC name is 2-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol
PubChem CID70738024
Molecular FormulaC18H33N5O
Molecular Weight335.50 g/mol
Exact Mass335.27
IUPAC Name2-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol
SMILESCN(CCO)Cc1nnc(C2CCN(C3CCCCC3)CC2)n1C
InChIInChI=1S/C18H33N5O/c1-21(12-13-24)14-17-19-20-18(22(17)2)15-8-10-23(11-9-15)16-6-4-3-5-7-16/h15-16,24H,3-14H2,1-2H3
InChIKeyAOWQLLPQSRRWLW-UHFFFAOYSA-N
XLogP1.75
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol?
The IUPAC name of 2-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol (CID 70738024) is 2-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol.
What is the SMILES notation for 2-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol?
The canonical SMILES for 2-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol is CN(CCO)Cc1nnc(C2CCN(C3CCCCC3)CC2)n1C.
What is the InChIKey of 2-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol?
The InChIKey is AOWQLLPQSRRWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O/c1-21(12-13-24)14-17-19-20-18(22(17)2)15-8-10-23(11-9-15)16-6-4-3-5-7-16/h15-16,24H,3-14H2,1-2H3.
What are the key properties of 2-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol?
2-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol has a molecular weight of 335.50 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol is sourced from PubChem (CID 70738024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).