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

C18H21FN2O4 — CID 70459552

IUPACethyl [6-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-hydroxy-1,2,3,6-tetrahydropyridin-5-yl] carbonate
SMILESCCOC(=O)OC1=C(O)CCNC1CCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C18H21FN2O4/c1-2-24-18(23)25-17-15(20-8-7-16(17)22)5-3-11-10-21-14-6-4-12(19)9-13(11)14/h4,6,9-10,15,20-22H,2-3,5,7-8H2,1H3
InChIKeyZPUUIMYJAFRPON-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.54
Rot. Bonds5

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

ethyl [6-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-hydroxy-1,2,3,6-tetrahydropyridin-5-yl] carbonate (PubChem CID 70459552) has the molecular formula C18H21FN2O4 and a molecular weight of 348.37 g/mol. Its IUPAC name is ethyl [6-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-hydroxy-1,2,3,6-tetrahydropyridin-5-yl] carbonate.

Molecular Properties

Compound Nameethyl [6-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-hydroxy-1,2,3,6-tetrahydropyridin-5-yl] carbonate
PubChem CID70459552
Molecular FormulaC18H21FN2O4
Molecular Weight348.37 g/mol
Exact Mass348.15
IUPAC Nameethyl [6-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-hydroxy-1,2,3,6-tetrahydropyridin-5-yl] carbonate
SMILESCCOC(=O)OC1=C(O)CCNC1CCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C18H21FN2O4/c1-2-24-18(23)25-17-15(20-8-7-16(17)22)5-3-11-10-21-14-6-4-12(19)9-13(11)14/h4,6,9-10,15,20-22H,2-3,5,7-8H2,1H3
InChIKeyZPUUIMYJAFRPON-UHFFFAOYSA-N
XLogP3.54
TPSA83.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

ethyl [4-hydroxy-6-[2-(1H-indol-3-yl)ethyl]-1,2,3,6-tetrahydropyridin-5-yl] carbonate;hydrochloride
CID 70462939
[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl acetate
CID 151199307
3-(5-fluoro-1H-indol-3-yl)propanoic acid
CID 10899794
ethyl 4-(5-ethoxycarbonyloxy-1H-indol-3-yl)butanoate
CID 158377062
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
triethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]azanium
CID 170545416
phenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 69217510
ethyl (E)-3-(5-fluoro-1H-indol-3-yl)prop-2-enoate
CID 171922360
tert-butyl N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]ethyl]carbamate
CID 67394852
ethyl [5-hydroxy-3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indol-6-yl] carbonate
CID 70412498
2-(5-fluoro-1H-indol-3-yl)-N-propylacetamide
CID 110700222
N-[3-(5-fluoro-1H-indol-3-yl)propyl]pentan-1-amine
CID 141110811

Frequently Asked Questions

What is the IUPAC name of ethyl [6-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-hydroxy-1,2,3,6-tetrahydropyridin-5-yl] carbonate?
The IUPAC name of ethyl [6-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-hydroxy-1,2,3,6-tetrahydropyridin-5-yl] carbonate (CID 70459552) is ethyl [6-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-hydroxy-1,2,3,6-tetrahydropyridin-5-yl] carbonate.
What is the SMILES notation for ethyl [6-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-hydroxy-1,2,3,6-tetrahydropyridin-5-yl] carbonate?
The canonical SMILES for ethyl [6-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-hydroxy-1,2,3,6-tetrahydropyridin-5-yl] carbonate is CCOC(=O)OC1=C(O)CCNC1CCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of ethyl [6-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-hydroxy-1,2,3,6-tetrahydropyridin-5-yl] carbonate?
The InChIKey is ZPUUIMYJAFRPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4/c1-2-24-18(23)25-17-15(20-8-7-16(17)22)5-3-11-10-21-14-6-4-12(19)9-13(11)14/h4,6,9-10,15,20-22H,2-3,5,7-8H2,1H3.
What are the key properties of ethyl [6-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-hydroxy-1,2,3,6-tetrahydropyridin-5-yl] carbonate?
ethyl [6-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-hydroxy-1,2,3,6-tetrahydropyridin-5-yl] carbonate has a molecular weight of 348.37 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [6-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-hydroxy-1,2,3,6-tetrahydropyridin-5-yl] carbonate is sourced from PubChem (CID 70459552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).