ethyl [4-hydroxy-6-[2-(1H-indol-3-yl)ethyl]-1,2,3,6-tetrahydropyridin-5-yl] carbonate;hydrochloride

C18H23ClN2O4 — CID 70462939

IUPACethyl [4-hydroxy-6-[2-(1H-indol-3-yl)ethyl]-1,2,3,6-tetrahydropyridin-5-yl] carbonate;hydrochloride
SMILESCCOC(=O)OC1=C(O)CCNC1CCc1c[nH]c2ccccc12.Cl
InChIInChI=1S/C18H22N2O4.ClH/c1-2-23-18(22)24-17-15(19-10-9-16(17)21)8-7-12-11-20-14-6-4-3-5-13(12)14;/h3-6,11,15,19-21H,2,7-10H2,1H3;1H
InChIKeyANODMOYRVFANEJ-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.83
Rot. Bonds5

About ethyl [4-hydroxy-6-[2-(1H-indol-3-yl)ethyl]-1,2,3,6-tetrahydropyridin-5-yl] carbonate;hydrochloride

ethyl [4-hydroxy-6-[2-(1H-indol-3-yl)ethyl]-1,2,3,6-tetrahydropyridin-5-yl] carbonate;hydrochloride (PubChem CID 70462939) has the molecular formula C18H23ClN2O4 and a molecular weight of 366.85 g/mol. Its IUPAC name is ethyl [4-hydroxy-6-[2-(1H-indol-3-yl)ethyl]-1,2,3,6-tetrahydropyridin-5-yl] carbonate;hydrochloride.

Molecular Properties

Compound Nameethyl [4-hydroxy-6-[2-(1H-indol-3-yl)ethyl]-1,2,3,6-tetrahydropyridin-5-yl] carbonate;hydrochloride
PubChem CID70462939
Molecular FormulaC18H23ClN2O4
Molecular Weight366.85 g/mol
Exact Mass366.13
IUPAC Nameethyl [4-hydroxy-6-[2-(1H-indol-3-yl)ethyl]-1,2,3,6-tetrahydropyridin-5-yl] carbonate;hydrochloride
SMILESCCOC(=O)OC1=C(O)CCNC1CCc1c[nH]c2ccccc12.Cl
InChIInChI=1S/C18H22N2O4.ClH/c1-2-23-18(22)24-17-15(19-10-9-16(17)21)8-7-12-11-20-14-6-4-3-5-13(12)14;/h3-6,11,15,19-21H,2,7-10H2,1H3;1H
InChIKeyANODMOYRVFANEJ-UHFFFAOYSA-N
XLogP3.83
TPSA83.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl [4-hydroxy-6-[2-(1H-indol-3-yl)ethyl]-1,2,3,6-tetrahydropyridin-5-yl] carbonate;hydrochloride with MolForge

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Related Compounds

ethyl [6-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-hydroxy-1,2,3,6-tetrahydropyridin-5-yl] carbonate
CID 70459552
ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
CID 67834075
ethyl [(3S,4S)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl] carbonate
CID 70459487
ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate
CID 28710187
ethyl [5-hydroxy-3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indol-6-yl] carbonate
CID 70412498
ethyl 10-(1H-indol-3-yl)-7-oxodecanoate
CID 58248748
diethyl 1-[2-(1H-indol-3-yl)ethyl]-2,5-dimethylpyrrole-3,4-dicarboxylate
CID 1288214
diethyl 2-acetamido-2-[2-(1H-indol-3-yl)ethyl]propanedioate
CID 5154678
(5R)-5-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydro-[1,3,2]dioxazolo[4,5-g]isoquinoline
CID 170742408
ethyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617475
ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583
diethyl 2-(1H-indol-3-ylmethyl)-2-methylpropanedioate
CID 12724509

Frequently Asked Questions

What is the IUPAC name of ethyl [4-hydroxy-6-[2-(1H-indol-3-yl)ethyl]-1,2,3,6-tetrahydropyridin-5-yl] carbonate;hydrochloride?
The IUPAC name of ethyl [4-hydroxy-6-[2-(1H-indol-3-yl)ethyl]-1,2,3,6-tetrahydropyridin-5-yl] carbonate;hydrochloride (CID 70462939) is ethyl [4-hydroxy-6-[2-(1H-indol-3-yl)ethyl]-1,2,3,6-tetrahydropyridin-5-yl] carbonate;hydrochloride.
What is the SMILES notation for ethyl [4-hydroxy-6-[2-(1H-indol-3-yl)ethyl]-1,2,3,6-tetrahydropyridin-5-yl] carbonate;hydrochloride?
The canonical SMILES for ethyl [4-hydroxy-6-[2-(1H-indol-3-yl)ethyl]-1,2,3,6-tetrahydropyridin-5-yl] carbonate;hydrochloride is CCOC(=O)OC1=C(O)CCNC1CCc1c[nH]c2ccccc12.Cl.
What is the InChIKey of ethyl [4-hydroxy-6-[2-(1H-indol-3-yl)ethyl]-1,2,3,6-tetrahydropyridin-5-yl] carbonate;hydrochloride?
The InChIKey is ANODMOYRVFANEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4.ClH/c1-2-23-18(22)24-17-15(19-10-9-16(17)21)8-7-12-11-20-14-6-4-3-5-13(12)14;/h3-6,11,15,19-21H,2,7-10H2,1H3;1H.
What are the key properties of ethyl [4-hydroxy-6-[2-(1H-indol-3-yl)ethyl]-1,2,3,6-tetrahydropyridin-5-yl] carbonate;hydrochloride?
ethyl [4-hydroxy-6-[2-(1H-indol-3-yl)ethyl]-1,2,3,6-tetrahydropyridin-5-yl] carbonate;hydrochloride has a molecular weight of 366.85 g/mol, XLogP of 3.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [4-hydroxy-6-[2-(1H-indol-3-yl)ethyl]-1,2,3,6-tetrahydropyridin-5-yl] carbonate;hydrochloride is sourced from PubChem (CID 70462939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).