ethyl 3-(2-methoxyphenyl)-3-piperidin-1-ylpropanoate

C17H25NO3 — CID 64542045

IUPACethyl 3-(2-methoxyphenyl)-3-piperidin-1-ylpropanoate
SMILESCCOC(=O)CC(c1ccccc1OC)N1CCCCC1
InChIInChI=1S/C17H25NO3/c1-3-21-17(19)13-15(18-11-7-4-8-12-18)14-9-5-6-10-16(14)20-2/h5-6,9-10,15H,3-4,7-8,11-13H2,1-2H3
InChIKeyOBQDREBFARVTLA-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.18
Rot. Bonds6

About ethyl 3-(2-methoxyphenyl)-3-piperidin-1-ylpropanoate

ethyl 3-(2-methoxyphenyl)-3-piperidin-1-ylpropanoate (PubChem CID 64542045) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl 3-(2-methoxyphenyl)-3-piperidin-1-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-(2-methoxyphenyl)-3-piperidin-1-ylpropanoate
PubChem CID64542045
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nameethyl 3-(2-methoxyphenyl)-3-piperidin-1-ylpropanoate
SMILESCCOC(=O)CC(c1ccccc1OC)N1CCCCC1
InChIInChI=1S/C17H25NO3/c1-3-21-17(19)13-15(18-11-7-4-8-12-18)14-9-5-6-10-16(14)20-2/h5-6,9-10,15H,3-4,7-8,11-13H2,1-2H3
InChIKeyOBQDREBFARVTLA-UHFFFAOYSA-N
XLogP3.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(2-methoxyphenyl)-3-pyrrolidin-1-ylpropanoate
CID 64527619
ethyl 3-(2-methoxyphenyl)-3-morpholin-4-ylpropanoate
CID 64528220
ethyl 3-(2-bromophenyl)-3-piperidin-1-ylpropanoate
CID 64539908
ethyl 3-(2-fluorophenyl)-3-pyrrolidin-1-ylpropanoate
CID 64539874
ethyl 3-(5-bromo-2-methoxyphenyl)-3-pyrrolidin-1-ylpropanoate
CID 64528994
3-(2-ethoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid
CID 64527940
ethyl 4-[N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111164208
1-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119849343
ethyl (3S)-3-amino-3-(2-methoxyphenyl)propanoate;hydrochloride
CID 171220006
(2R)-2-(2-ethoxyphenyl)-2-piperidin-1-ylethanamine
CID 93489676
ethyl 1-[N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N'-methylcarbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110994312
ethyl 3-(2-bromo-5-chlorophenyl)-3-piperidin-1-ylpropanoate
CID 66157879

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methoxyphenyl)-3-piperidin-1-ylpropanoate?
The IUPAC name of ethyl 3-(2-methoxyphenyl)-3-piperidin-1-ylpropanoate (CID 64542045) is ethyl 3-(2-methoxyphenyl)-3-piperidin-1-ylpropanoate.
What is the SMILES notation for ethyl 3-(2-methoxyphenyl)-3-piperidin-1-ylpropanoate?
The canonical SMILES for ethyl 3-(2-methoxyphenyl)-3-piperidin-1-ylpropanoate is CCOC(=O)CC(c1ccccc1OC)N1CCCCC1.
What is the InChIKey of ethyl 3-(2-methoxyphenyl)-3-piperidin-1-ylpropanoate?
The InChIKey is OBQDREBFARVTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-21-17(19)13-15(18-11-7-4-8-12-18)14-9-5-6-10-16(14)20-2/h5-6,9-10,15H,3-4,7-8,11-13H2,1-2H3.
What are the key properties of ethyl 3-(2-methoxyphenyl)-3-piperidin-1-ylpropanoate?
ethyl 3-(2-methoxyphenyl)-3-piperidin-1-ylpropanoate has a molecular weight of 291.39 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methoxyphenyl)-3-piperidin-1-ylpropanoate is sourced from PubChem (CID 64542045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).