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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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).