1-piperidin-3-yl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol

C12H22N4O — CID 112744380

IUPAC1-piperidin-3-yl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
SMILESCC(C)n1ncnc1C(C)(O)C1CCCNC1
InChIInChI=1S/C12H22N4O/c1-9(2)16-11(14-8-15-16)12(3,17)10-5-4-6-13-7-10/h8-10,13,17H,4-7H2,1-3H3
InChIKeyDGMZDIMMUTYDPT-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.07
Rot. Bonds3

About 1-piperidin-3-yl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol

1-piperidin-3-yl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol (PubChem CID 112744380) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-piperidin-3-yl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name1-piperidin-3-yl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
PubChem CID112744380
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-piperidin-3-yl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
SMILESCC(C)n1ncnc1C(C)(O)C1CCCNC1
InChIInChI=1S/C12H22N4O/c1-9(2)16-11(14-8-15-16)12(3,17)10-5-4-6-13-7-10/h8-10,13,17H,4-7H2,1-3H3
InChIKeyDGMZDIMMUTYDPT-UHFFFAOYSA-N
XLogP1.07
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-piperidin-3-yl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-tert-butylphenyl)-1-piperidin-3-ylethanol
CID 63586623
1-(1-methylimidazol-2-yl)-1-pyrrolidin-3-ylethanol
CID 130787693
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylethanone
CID 116568448
1-phenyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
CID 112744377
1-(2,5-dimethylphenyl)-1-piperidin-3-ylethanol
CID 63586450
1-(4-aminophenyl)-1-piperidin-3-ylethanol
CID 115032208
1-piperidin-3-yl-1-pyridin-3-ylethanol
CID 63585901
1-(1-methylimidazol-2-yl)-2-piperidin-3-ylpropan-2-ol
CID 79743754
1-(4-methyl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylethanol
CID 127016465
(3R)-3-tert-butylpiperidine
CID 59772800
1-cycloheptyl-1-piperidin-3-ylethanol
CID 82929213
2-piperidin-3-ylbutan-2-ol
CID 63586087

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-3-yl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 1-piperidin-3-yl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol (CID 112744380) is 1-piperidin-3-yl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 1-piperidin-3-yl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 1-piperidin-3-yl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol is CC(C)n1ncnc1C(C)(O)C1CCCNC1.
What is the InChIKey of 1-piperidin-3-yl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is DGMZDIMMUTYDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9(2)16-11(14-8-15-16)12(3,17)10-5-4-6-13-7-10/h8-10,13,17H,4-7H2,1-3H3.
What are the key properties of 1-piperidin-3-yl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol?
1-piperidin-3-yl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 238.33 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-3-yl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 112744380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).