methyl 3-(1,3-dimethylpiperidin-3-yl)oxybenzoate

C15H21NO3 — CID 117053630

IUPACmethyl 3-(1,3-dimethylpiperidin-3-yl)oxybenzoate
SMILESCOC(=O)c1cccc(OC2(C)CCCN(C)C2)c1
InChIInChI=1S/C15H21NO3/c1-15(8-5-9-16(2)11-15)19-13-7-4-6-12(10-13)14(17)18-3/h4,6-7,10H,5,8-9,11H2,1-3H3
InChIKeyACVHITJJRZDAOS-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.34
Rot. Bonds3

About methyl 3-(1,3-dimethylpiperidin-3-yl)oxybenzoate

methyl 3-(1,3-dimethylpiperidin-3-yl)oxybenzoate (PubChem CID 117053630) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 3-(1,3-dimethylpiperidin-3-yl)oxybenzoate.

Molecular Properties

Compound Namemethyl 3-(1,3-dimethylpiperidin-3-yl)oxybenzoate
PubChem CID117053630
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 3-(1,3-dimethylpiperidin-3-yl)oxybenzoate
SMILESCOC(=O)c1cccc(OC2(C)CCCN(C)C2)c1
InChIInChI=1S/C15H21NO3/c1-15(8-5-9-16(2)11-15)19-13-7-4-6-12(10-13)14(17)18-3/h4,6-7,10H,5,8-9,11H2,1-3H3
InChIKeyACVHITJJRZDAOS-UHFFFAOYSA-N
XLogP2.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-(1,3-dimethylpiperidin-3-yl)oxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(1,4-dimethylpiperidin-4-yl)oxyphenyl]ethanone
CID 117051921
5-(1,3-dimethylpiperidin-3-yl)oxy-2,3-dihydro-1H-isoindole
CID 115076103
methyl 3-(4-methyl-1,4-diazepane-1-carbonyl)benzoate
CID 78884953
CID 59716384
CID 59716384
methyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate
CID 112786434
methyl 3-acetyloxybenzoate
CID 577969
CID 70265363
CID 70265363
CID 159558349
CID 159558349
methyl 3-carbamoyloxybenzoate
CID 795113
methyl 3-ethoxybenzoate
CID 3267781
(3-methoxyphenyl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 134078666
2-(1,3-dimethylpiperidin-3-yl)oxypyridine-3-carbonitrile
CID 117096430

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1,3-dimethylpiperidin-3-yl)oxybenzoate?
The IUPAC name of methyl 3-(1,3-dimethylpiperidin-3-yl)oxybenzoate (CID 117053630) is methyl 3-(1,3-dimethylpiperidin-3-yl)oxybenzoate.
What is the SMILES notation for methyl 3-(1,3-dimethylpiperidin-3-yl)oxybenzoate?
The canonical SMILES for methyl 3-(1,3-dimethylpiperidin-3-yl)oxybenzoate is COC(=O)c1cccc(OC2(C)CCCN(C)C2)c1.
What is the InChIKey of methyl 3-(1,3-dimethylpiperidin-3-yl)oxybenzoate?
The InChIKey is ACVHITJJRZDAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(8-5-9-16(2)11-15)19-13-7-4-6-12(10-13)14(17)18-3/h4,6-7,10H,5,8-9,11H2,1-3H3.
What are the key properties of methyl 3-(1,3-dimethylpiperidin-3-yl)oxybenzoate?
methyl 3-(1,3-dimethylpiperidin-3-yl)oxybenzoate has a molecular weight of 263.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1,3-dimethylpiperidin-3-yl)oxybenzoate is sourced from PubChem (CID 117053630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).