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

C17H31N5O — CID 70783178

IUPAC2-[[5-(1-cyclopentylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol
SMILESCN(CCO)Cc1nnc(C2CCN(C3CCCC3)CC2)n1C
InChIInChI=1S/C17H31N5O/c1-20(11-12-23)13-16-18-19-17(21(16)2)14-7-9-22(10-8-14)15-5-3-4-6-15/h14-15,23H,3-13H2,1-2H3
InChIKeyVFAZNZBMRGNPAY-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.36
Rot. Bonds6

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

2-[[5-(1-cyclopentylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol (PubChem CID 70783178) has the molecular formula C17H31N5O and a molecular weight of 321.47 g/mol. Its IUPAC name is 2-[[5-(1-cyclopentylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[[5-(1-cyclopentylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol
PubChem CID70783178
Molecular FormulaC17H31N5O
Molecular Weight321.47 g/mol
Exact Mass321.25
IUPAC Name2-[[5-(1-cyclopentylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol
SMILESCN(CCO)Cc1nnc(C2CCN(C3CCCC3)CC2)n1C
InChIInChI=1S/C17H31N5O/c1-20(11-12-23)13-16-18-19-17(21(16)2)14-7-9-22(10-8-14)15-5-3-4-6-15/h14-15,23H,3-13H2,1-2H3
InChIKeyVFAZNZBMRGNPAY-UHFFFAOYSA-N
XLogP1.36
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(1-cyclopentylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol with MolForge

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Launch Full Analysis

Related Compounds

1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 53603902
4-{[4-methyl-5-(1-methylpiperidin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}morpholine
CID 70704629
2-[({5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)(methyl)amino]ethanol
CID 70710980
2-[{[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}(methyl)amino]ethanol
CID 70738024
2-[({5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)(methyl)amino]ethanol
CID 70740870
1-{[4-methyl-5-(1-methylpiperidin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-4-ol
CID 70772748
2-[methyl({4-methyl-5-[1-(pyrrolidin-1-ylacetyl)piperidin-4-yl]-4H-1,2,4-triazol-3-yl}methyl)amino]ethanol
CID 70776891
2-(4-{4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidin-1-yl)propane-1,3-diol
CID 72857858
2-{5-(azepan-1-ylmethyl)-3-[(1-methylpiperidin-4-yl)methyl]-1H-1,2,4-triazol-1-yl}ethanol
CID 72907619
2-[(5-Cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl-ethylamino]-2-methylpropan-1-ol
CID 86797421
2-[[(1S)-1-cyclohexylethyl]-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]amino]ethanol
CID 100669946
(4-methyl-5-{[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl}-4H-1,2,4-triazol-3-yl)methanol
CID 50948143

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-cyclopentylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol?
The IUPAC name of 2-[[5-(1-cyclopentylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol (CID 70783178) is 2-[[5-(1-cyclopentylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol.
What is the SMILES notation for 2-[[5-(1-cyclopentylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol?
The canonical SMILES for 2-[[5-(1-cyclopentylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol is CN(CCO)Cc1nnc(C2CCN(C3CCCC3)CC2)n1C.
What is the InChIKey of 2-[[5-(1-cyclopentylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol?
The InChIKey is VFAZNZBMRGNPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O/c1-20(11-12-23)13-16-18-19-17(21(16)2)14-7-9-22(10-8-14)15-5-3-4-6-15/h14-15,23H,3-13H2,1-2H3.
What are the key properties of 2-[[5-(1-cyclopentylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol?
2-[[5-(1-cyclopentylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol has a molecular weight of 321.47 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1-cyclopentylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol is sourced from PubChem (CID 70783178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).