3-(hydroxymethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-3-ol

C17H23N3O3 — CID 70737523

IUPAC3-(hydroxymethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-3-ol
SMILESCOc1ccc(-n2ccnc2CN2CCCC(O)(CO)C2)cc1
InChIInChI=1S/C17H23N3O3/c1-23-15-5-3-14(4-6-15)20-10-8-18-16(20)11-19-9-2-7-17(22,12-19)13-21/h3-6,8,10,21-22H,2,7,9,11-13H2,1H3
InChIKeyKWWVSOCHKYRJFH-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.20
Rot. Bonds5

About 3-(hydroxymethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-3-ol

3-(hydroxymethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-3-ol (PubChem CID 70737523) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-3-ol
PubChem CID70737523
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-(hydroxymethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-3-ol
SMILESCOc1ccc(-n2ccnc2CN2CCCC(O)(CO)C2)cc1
InChIInChI=1S/C17H23N3O3/c1-23-15-5-3-14(4-6-15)20-10-8-18-16(20)11-19-9-2-7-17(22,12-19)13-21/h3-6,8,10,21-22H,2,7,9,11-13H2,1H3
InChIKeyKWWVSOCHKYRJFH-UHFFFAOYSA-N
XLogP1.20
TPSA70.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-Methoxyphenyl)-1H-imidazole
CID 82328
1-(4-Butoxy-phenyl)-1H-imidazole
CID 11321889
4-[2-(4-Imidazol-1-yl-phenoxy)-ethyl]-morpholine
CID 44341256
4-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine
CID 44341260
[6-(4-Imidazol-1-yl-phenoxy)-hexyl]-dimethyl-amine
CID 10108128
4-[2-(4-Imidazol-1-yl-phenoxy)-ethyl]-piperazine-1-carboxylic acid ethyl ester
CID 10154555
1-(4-Butoxy-phenyl)-2-methyl-1H-imidazole
CID 11148936
1-[[2-[4-(1H-Imidazol-1-yl)phenoxy]ethyl]amino]-3-phenoxy-2-propanol
CID 14739905
1-{2-[4-(3H-Imidazol-1-yl)-phenoxy]-ethylamino}-3-m-tolyloxy-propan-2-ol
CID 14739907
[2-(4-Imidazol-1-yl-phenoxy)-ethyl]-dimethyl-amine
CID 44341241
[3-(4-Imidazol-1-yl-phenoxy)-propyl]-dimethyl-amine
CID 44341461
3-[1-(4-Methoxybenzyl)-1H-imidazol-5-yl]-1-propanol
CID 45103807

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-3-ol?
The IUPAC name of 3-(hydroxymethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-3-ol (CID 70737523) is 3-(hydroxymethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 3-(hydroxymethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-3-ol?
The canonical SMILES for 3-(hydroxymethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-3-ol is COc1ccc(-n2ccnc2CN2CCCC(O)(CO)C2)cc1.
What is the InChIKey of 3-(hydroxymethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-3-ol?
The InChIKey is KWWVSOCHKYRJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-23-15-5-3-14(4-6-15)20-10-8-18-16(20)11-19-9-2-7-17(22,12-19)13-21/h3-6,8,10,21-22H,2,7,9,11-13H2,1H3.
What are the key properties of 3-(hydroxymethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-3-ol?
3-(hydroxymethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-3-ol has a molecular weight of 317.39 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 70737523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).