methyl 4-methoxy-3-piperidin-4-ylbenzoate

C14H19NO3 — CID 139793069

IUPACmethyl 4-methoxy-3-piperidin-4-ylbenzoate
SMILESCOC(=O)c1ccc(OC)c(C2CCNCC2)c1
InChIInChI=1S/C14H19NO3/c1-17-13-4-3-11(14(16)18-2)9-12(13)10-5-7-15-8-6-10/h3-4,9-10,15H,5-8H2,1-2H3
InChIKeyIAMGYVXMVGFBME-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.95
Rot. Bonds3

About methyl 4-methoxy-3-piperidin-4-ylbenzoate

methyl 4-methoxy-3-piperidin-4-ylbenzoate (PubChem CID 139793069) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 4-methoxy-3-piperidin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 4-methoxy-3-piperidin-4-ylbenzoate
PubChem CID139793069
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 4-methoxy-3-piperidin-4-ylbenzoate
SMILESCOC(=O)c1ccc(OC)c(C2CCNCC2)c1
InChIInChI=1S/C14H19NO3/c1-17-13-4-3-11(14(16)18-2)9-12(13)10-5-7-15-8-6-10/h3-4,9-10,15H,5-8H2,1-2H3
InChIKeyIAMGYVXMVGFBME-UHFFFAOYSA-N
XLogP1.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3,4-dimethoxy-5-pyrrolidin-3-ylbenzoate
CID 117417261
4-methoxy-3-piperidin-4-ylbenzaldehyde
CID 166844972
methyl 4-methoxy-3-(pyrrolidin-3-ylmethoxy)benzoate
CID 117053759
1-(3-cyclopentyl-4-methoxyphenyl)ethanone
CID 84683848
3-cyclohexyl-4-methoxybenzoic acid
CID 21199438
methyl 3-methoxy-4-[(2S)-piperidin-2-yl]benzoate
CID 125468644
methyl 3-methoxy-4-(piperidin-4-ylsulfamoyl)benzoate
CID 120706280
methyl 4-(piperidine-4-carbonylamino)benzoate
CID 61258374
methyl 4-[(3R)-pyrrolidine-3-carbonyl]benzoate
CID 99934590
4-(2-methoxyphenyl)piperidine
CID 544738
4-(5-tert-butyl-2-methoxyphenyl)azepane
CID 82302415
methyl 5-chloro-2-piperidin-4-ylbenzoate
CID 59662176

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-3-piperidin-4-ylbenzoate?
The IUPAC name of methyl 4-methoxy-3-piperidin-4-ylbenzoate (CID 139793069) is methyl 4-methoxy-3-piperidin-4-ylbenzoate.
What is the SMILES notation for methyl 4-methoxy-3-piperidin-4-ylbenzoate?
The canonical SMILES for methyl 4-methoxy-3-piperidin-4-ylbenzoate is COC(=O)c1ccc(OC)c(C2CCNCC2)c1.
What is the InChIKey of methyl 4-methoxy-3-piperidin-4-ylbenzoate?
The InChIKey is IAMGYVXMVGFBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-13-4-3-11(14(16)18-2)9-12(13)10-5-7-15-8-6-10/h3-4,9-10,15H,5-8H2,1-2H3.
What are the key properties of methyl 4-methoxy-3-piperidin-4-ylbenzoate?
methyl 4-methoxy-3-piperidin-4-ylbenzoate has a molecular weight of 249.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-3-piperidin-4-ylbenzoate is sourced from PubChem (CID 139793069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).