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

C12H22N4O — CID 106634605

IUPAC1-piperidin-2-yl-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
SMILESCCCn1ncnc1CC(O)C1CCCCN1
InChIInChI=1S/C12H22N4O/c1-2-7-16-12(14-9-15-16)8-11(17)10-5-3-4-6-13-10/h9-11,13,17H,2-8H2,1H3
InChIKeyYZTDKQZGSSXGOL-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.73
Rot. Bonds5

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

1-piperidin-2-yl-2-(2-propyl-1,2,4-triazol-3-yl)ethanol (PubChem CID 106634605) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-piperidin-2-yl-2-(2-propyl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name1-piperidin-2-yl-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
PubChem CID106634605
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-piperidin-2-yl-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
SMILESCCCn1ncnc1CC(O)C1CCCCN1
InChIInChI=1S/C12H22N4O/c1-2-7-16-12(14-9-15-16)8-11(17)10-5-3-4-6-13-10/h9-11,13,17H,2-8H2,1H3
InChIKeyYZTDKQZGSSXGOL-UHFFFAOYSA-N
XLogP0.73
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol
CID 112570348
1-(2-methyloxolan-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 115816524
azepan-2-yl-(2-propylpyrazol-3-yl)methanol
CID 114557083
1-cyclooctyl-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 80604052
5-(3-chloro-2-cyclopentylpropyl)-1-propyl-1,2,4-triazole
CID 112570463
3-propyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-ol
CID 115816584
3,4-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 115816529
4-cyclopentyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105003205
1-cyclopropyl-1-hydroxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-one
CID 103455915
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109800
5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methyl-1,2,4-triazole
CID 106640178
1-(2-propyl-1,2,4-triazol-3-yl)undecan-2-ol
CID 115816507

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-2-yl-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 1-piperidin-2-yl-2-(2-propyl-1,2,4-triazol-3-yl)ethanol (CID 106634605) is 1-piperidin-2-yl-2-(2-propyl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 1-piperidin-2-yl-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 1-piperidin-2-yl-2-(2-propyl-1,2,4-triazol-3-yl)ethanol is CCCn1ncnc1CC(O)C1CCCCN1.
What is the InChIKey of 1-piperidin-2-yl-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is YZTDKQZGSSXGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-2-7-16-12(14-9-15-16)8-11(17)10-5-3-4-6-13-10/h9-11,13,17H,2-8H2,1H3.
What are the key properties of 1-piperidin-2-yl-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
1-piperidin-2-yl-2-(2-propyl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 238.33 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-2-yl-2-(2-propyl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 106634605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).