1-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone

C17H22N4O3 — CID 31193716

IUPAC1-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
SMILESO=C(Cc1ccc(O)cc1)N1CCC(Cn2cc(CO)nn2)CC1
InChIInChI=1S/C17H22N4O3/c22-12-15-11-21(19-18-15)10-14-5-7-20(8-6-14)17(24)9-13-1-3-16(23)4-2-13/h1-4,11,14,22-23H,5-10,12H2
InChIKeyREBCGBRPIBSAAZ-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.96
Rot. Bonds5

About 1-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone

1-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone (PubChem CID 31193716) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
PubChem CID31193716
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name1-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
SMILESO=C(Cc1ccc(O)cc1)N1CCC(Cn2cc(CO)nn2)CC1
InChIInChI=1S/C17H22N4O3/c22-12-15-11-21(19-18-15)10-14-5-7-20(8-6-14)17(24)9-13-1-3-16(23)4-2-13/h1-4,11,14,22-23H,5-10,12H2
InChIKeyREBCGBRPIBSAAZ-UHFFFAOYSA-N
XLogP0.96
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

cycloheptyl-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
CID 46986620
1-[(3S)-3-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]ethanone
CID 129495741
[1-(piperidin-4-ylmethyl)triazol-4-yl]methanol
CID 86262272
2-(4-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43393427
2-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110465876
1-[2-(4-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 28934157
1-[4-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-phenylsulfanylethanone
CID 31018722
1-[4-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one;2,2,2-trifluoroacetic acid
CID 154884920
2-(4-chlorophenyl)-1-[4-[(4-hydroxyphenoxy)methyl]piperidin-1-yl]ethanone
CID 71060557
2-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 79029330
[1-[[1-(5-methylhexan-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol
CID 46993018
[1-(oxolan-3-ylmethyl)triazol-4-yl]methanol
CID 62400526

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone?
The IUPAC name of 1-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone (CID 31193716) is 1-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone?
The canonical SMILES for 1-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone is O=C(Cc1ccc(O)cc1)N1CCC(Cn2cc(CO)nn2)CC1.
What is the InChIKey of 1-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone?
The InChIKey is REBCGBRPIBSAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c22-12-15-11-21(19-18-15)10-14-5-7-20(8-6-14)17(24)9-13-1-3-16(23)4-2-13/h1-4,11,14,22-23H,5-10,12H2.
What are the key properties of 1-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone?
1-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone has a molecular weight of 330.39 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 31193716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).