methyl 3-(4-benzylmorpholin-3-yl)propanoate

C15H21NO3 — CID 15212597

IUPACmethyl 3-(4-benzylmorpholin-3-yl)propanoate
SMILESCOC(=O)CCC1COCCN1Cc1ccccc1
InChIInChI=1S/C15H21NO3/c1-18-15(17)8-7-14-12-19-10-9-16(14)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3
InChIKeyAOGIJXCPDXVRAN-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.84
Rot. Bonds5

About methyl 3-(4-benzylmorpholin-3-yl)propanoate

methyl 3-(4-benzylmorpholin-3-yl)propanoate (PubChem CID 15212597) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 3-(4-benzylmorpholin-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-benzylmorpholin-3-yl)propanoate
PubChem CID15212597
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 3-(4-benzylmorpholin-3-yl)propanoate
SMILESCOC(=O)CCC1COCCN1Cc1ccccc1
InChIInChI=1S/C15H21NO3/c1-18-15(17)8-7-14-12-19-10-9-16(14)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3
InChIKeyAOGIJXCPDXVRAN-UHFFFAOYSA-N
XLogP1.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Diethylamino)ethyl alpha-phenyl-1-piperidineacetate
CID 72064
Ethyl 1-benzylpiperidine-4-carboxylate
CID 90423
Ethyl 1-benzylpiperidine-2-carboxylate
CID 2838690
Ethyl 1-(3,4-difluorobenzyl)-4-piperidinecarboxylate
CID 764426
Methyl 1-(4-methylbenzyl)-4-piperidinecarboxylate
CID 1475086
Ethyl 1-(2,4-difluorobenzyl)-4-piperidinecarboxylate
CID 2056099
Ethyl 1-(4-fluorobenzyl)-2-piperidinecarboxylate
CID 2837997
Ethyl 1-(3-fluorobenzyl)-2-piperidinecarboxylate
CID 2838709
Ethyl 1-(2-methylbenzyl)-4-piperidinecarboxylate
CID 764682
Ethyl 1-(4-Fluoro-benzyl)-piperidine-4-carboxylate
CID 764943
Ethyl alpha-phenyl-1-piperidineacetate
CID 202135
N-Benzyl-L-proline ethyl ester
CID 688177

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-benzylmorpholin-3-yl)propanoate?
The IUPAC name of methyl 3-(4-benzylmorpholin-3-yl)propanoate (CID 15212597) is methyl 3-(4-benzylmorpholin-3-yl)propanoate.
What is the SMILES notation for methyl 3-(4-benzylmorpholin-3-yl)propanoate?
The canonical SMILES for methyl 3-(4-benzylmorpholin-3-yl)propanoate is COC(=O)CCC1COCCN1Cc1ccccc1.
What is the InChIKey of methyl 3-(4-benzylmorpholin-3-yl)propanoate?
The InChIKey is AOGIJXCPDXVRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-15(17)8-7-14-12-19-10-9-16(14)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3.
What are the key properties of methyl 3-(4-benzylmorpholin-3-yl)propanoate?
methyl 3-(4-benzylmorpholin-3-yl)propanoate has a molecular weight of 263.34 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-benzylmorpholin-3-yl)propanoate is sourced from PubChem (CID 15212597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).