ethyl 1-(4-hydroxypiperidin-3-yl)-5-phenylimidazole-4-carboxylate;hydrochloride

C17H22ClN3O3 — CID 68664082

IUPACethyl 1-(4-hydroxypiperidin-3-yl)-5-phenylimidazole-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1ncn(C2CNCCC2O)c1-c1ccccc1.Cl
InChIInChI=1S/C17H21N3O3.ClH/c1-2-23-17(22)15-16(12-6-4-3-5-7-12)20(11-19-15)13-10-18-9-8-14(13)21;/h3-7,11,13-14,18,21H,2,8-10H2,1H3;1H
InChIKeyQAMUQYOPOBLLDT-UHFFFAOYSA-N
MW351.83 g/mol
LogP2.04
Rot. Bonds4

About ethyl 1-(4-hydroxypiperidin-3-yl)-5-phenylimidazole-4-carboxylate;hydrochloride

ethyl 1-(4-hydroxypiperidin-3-yl)-5-phenylimidazole-4-carboxylate;hydrochloride (PubChem CID 68664082) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is ethyl 1-(4-hydroxypiperidin-3-yl)-5-phenylimidazole-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-(4-hydroxypiperidin-3-yl)-5-phenylimidazole-4-carboxylate;hydrochloride
PubChem CID68664082
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Nameethyl 1-(4-hydroxypiperidin-3-yl)-5-phenylimidazole-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1ncn(C2CNCCC2O)c1-c1ccccc1.Cl
InChIInChI=1S/C17H21N3O3.ClH/c1-2-23-17(22)15-16(12-6-4-3-5-7-12)20(11-19-15)13-10-18-9-8-14(13)21;/h3-7,11,13-14,18,21H,2,8-10H2,1H3;1H
InChIKeyQAMUQYOPOBLLDT-UHFFFAOYSA-N
XLogP2.04
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[(1R,2R)-2-methylcyclohexyl]-5-phenylimidazole-4-carboxylate
CID 70278098
(3R,4R)-3-(4-ethoxycarbonyl-5-phenylimidazol-1-yl)-4-hydroxypiperidine-1-carboxylic acid
CID 68665205
methyl 1-[(1S,2S)-2-hydroxycyclopentyl]-5-phenylimidazole-4-carboxylate
CID 68989004
[(2R)-2-benzylpiperazin-1-yl]-[1-[(1R,2S)-2-hydroxycycloheptyl]-5-phenylimidazol-4-yl]methanone;hydrochloride
CID 68991399
ethyl 5-[[3-[4-[(2R)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]-2-oxoazepan-1-yl]methyl]furan-2-carboxylate
CID 59324797
ethyl 1-[(4-hydroxyoxan-4-yl)methyl]-5-phenylimidazole-4-carboxylate
CID 59324668
[2-[4-[(2S)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]cyclohexyl] N-methylcarbamate
CID 90966634
[1-[(1S,2R)-2-hydroxycyclohexyl]-5-phenylimidazol-4-yl]-[(2R)-2-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 68986785
ethyl 1-methyl-5-(4-methylphenyl)imidazole-4-carboxylate
CID 14735438
ethyl 2-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride
CID 56829770
ethyl 1-[(1S)-2-ethyl-2-hydroxy-1-phenylbutyl]-5-phenylimidazole-4-carboxylate
CID 59324725
[(2R)-2-benzylpiperazin-1-yl]-[5-phenyl-1-[(1S,2S)-2-prop-2-enoxycyclohexyl]imidazol-4-yl]methanone
CID 68990733

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-hydroxypiperidin-3-yl)-5-phenylimidazole-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-(4-hydroxypiperidin-3-yl)-5-phenylimidazole-4-carboxylate;hydrochloride (CID 68664082) is ethyl 1-(4-hydroxypiperidin-3-yl)-5-phenylimidazole-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-(4-hydroxypiperidin-3-yl)-5-phenylimidazole-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-(4-hydroxypiperidin-3-yl)-5-phenylimidazole-4-carboxylate;hydrochloride is CCOC(=O)c1ncn(C2CNCCC2O)c1-c1ccccc1.Cl.
What is the InChIKey of ethyl 1-(4-hydroxypiperidin-3-yl)-5-phenylimidazole-4-carboxylate;hydrochloride?
The InChIKey is QAMUQYOPOBLLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3.ClH/c1-2-23-17(22)15-16(12-6-4-3-5-7-12)20(11-19-15)13-10-18-9-8-14(13)21;/h3-7,11,13-14,18,21H,2,8-10H2,1H3;1H.
What are the key properties of ethyl 1-(4-hydroxypiperidin-3-yl)-5-phenylimidazole-4-carboxylate;hydrochloride?
ethyl 1-(4-hydroxypiperidin-3-yl)-5-phenylimidazole-4-carboxylate;hydrochloride has a molecular weight of 351.83 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-hydroxypiperidin-3-yl)-5-phenylimidazole-4-carboxylate;hydrochloride is sourced from PubChem (CID 68664082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).