2-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone

C18H24N4O3 — CID 97021453

IUPAC2-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
SMILESC[C@@H](O)c1cn(CC(=O)N2CCC(COc3ccccc3)CC2)nn1
InChIInChI=1S/C18H24N4O3/c1-14(23)17-11-22(20-19-17)12-18(24)21-9-7-15(8-10-21)13-25-16-5-3-2-4-6-16/h2-6,11,14-15,23H,7-10,12-13H2,1H3/t14-/m1/s1
InChIKeyRRNYVMSICHTYPG-CQSZACIVSA-N
MW344.41 g/mol
LogP1.65
Rot. Bonds6

About 2-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone

2-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone (PubChem CID 97021453) has the molecular formula C18H24N4O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
PubChem CID97021453
Molecular FormulaC18H24N4O3
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC Name2-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
SMILESC[C@@H](O)c1cn(CC(=O)N2CCC(COc3ccccc3)CC2)nn1
InChIInChI=1S/C18H24N4O3/c1-14(23)17-11-22(20-19-17)12-18(24)21-9-7-15(8-10-21)13-25-16-5-3-2-4-6-16/h2-6,11,14-15,23H,7-10,12-13H2,1H3/t14-/m1/s1
InChIKeyRRNYVMSICHTYPG-CQSZACIVSA-N
XLogP1.65
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

3-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 119751577
2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 100667514
1-[1-(2-phenoxyethyl)triazol-4-yl]ethanol
CID 81444678
4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 119304918
4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119304917
2-[methyl(pyrazin-2-yl)amino]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 56818972
(1-aminocyclopentyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone
CID 119304906
2-methyl-3-(methylamino)-1-[4-(phenoxymethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119751564
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-hydroxyethyl)triazol-1-yl]ethanone
CID 80736020
[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638786
[3-(dimethylamino)phenyl]-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
CID 45220142
2-amino-1-[4-(phenoxymethyl)piperidin-1-yl]pentan-1-one;hydrochloride
CID 119304911

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone (CID 97021453) is 2-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone is C[C@@H](O)c1cn(CC(=O)N2CCC(COc3ccccc3)CC2)nn1.
What is the InChIKey of 2-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone?
The InChIKey is RRNYVMSICHTYPG-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-14(23)17-11-22(20-19-17)12-18(24)21-9-7-15(8-10-21)13-25-16-5-3-2-4-6-16/h2-6,11,14-15,23H,7-10,12-13H2,1H3/t14-/m1/s1.
What are the key properties of 2-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone?
2-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone has a molecular weight of 344.41 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 97021453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).