methyl 4-(4-methylpiperidin-4-yl)oxybenzoate

C14H19NO3 — CID 117053542

IUPACmethyl 4-(4-methylpiperidin-4-yl)oxybenzoate
SMILESCOC(=O)c1ccc(OC2(C)CCNCC2)cc1
InChIInChI=1S/C14H19NO3/c1-14(7-9-15-10-8-14)18-12-5-3-11(4-6-12)13(16)17-2/h3-6,15H,7-10H2,1-2H3
InChIKeyNLUYLPZPXGAMLC-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.99
Rot. Bonds3

About methyl 4-(4-methylpiperidin-4-yl)oxybenzoate

methyl 4-(4-methylpiperidin-4-yl)oxybenzoate (PubChem CID 117053542) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 4-(4-methylpiperidin-4-yl)oxybenzoate.

Molecular Properties

Compound Namemethyl 4-(4-methylpiperidin-4-yl)oxybenzoate
PubChem CID117053542
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 4-(4-methylpiperidin-4-yl)oxybenzoate
SMILESCOC(=O)c1ccc(OC2(C)CCNCC2)cc1
InChIInChI=1S/C14H19NO3/c1-14(7-9-15-10-8-14)18-12-5-3-11(4-6-12)13(16)17-2/h3-6,15H,7-10H2,1-2H3
InChIKeyNLUYLPZPXGAMLC-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[(4-methylpiperidine-4-carbonyl)amino]methyl]benzoate
CID 63122386
methyl 4-piperidin-4-yloxybenzoate;hydrochloride
CID 53410621
4-(1-methylcyclopentyl)oxybenzoic acid
CID 117045761
methyl 4-[(3-methylpyrrolidin-3-yl)sulfamoyl]benzoate
CID 107423157
methyl 4-[(3R)-pyrrolidine-3-carbonyl]benzoate
CID 99934590
methyl 4-piperidin-3-yloxybenzoate
CID 53410618
methyl 2-bromo-2-methylpropanoate;methyl 2-methyl-2-(4-methyl-4-phenoxypiperidin-1-yl)propanoate;4-methyl-4-phenoxypiperidine;hydrochloride
CID 161342982
5-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-isoindole
CID 115075958
bis(4-methoxycarbonylphenyl) oxalate
CID 70400946
N-(4-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzamide;hydrochloride
CID 120567149
methyl 4-(azetidine-3-carbonyl)benzoate;hydrochloride
CID 86263323
methyl 4-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]benzoate
CID 14726493

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methylpiperidin-4-yl)oxybenzoate?
The IUPAC name of methyl 4-(4-methylpiperidin-4-yl)oxybenzoate (CID 117053542) is methyl 4-(4-methylpiperidin-4-yl)oxybenzoate.
What is the SMILES notation for methyl 4-(4-methylpiperidin-4-yl)oxybenzoate?
The canonical SMILES for methyl 4-(4-methylpiperidin-4-yl)oxybenzoate is COC(=O)c1ccc(OC2(C)CCNCC2)cc1.
What is the InChIKey of methyl 4-(4-methylpiperidin-4-yl)oxybenzoate?
The InChIKey is NLUYLPZPXGAMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(7-9-15-10-8-14)18-12-5-3-11(4-6-12)13(16)17-2/h3-6,15H,7-10H2,1-2H3.
What are the key properties of methyl 4-(4-methylpiperidin-4-yl)oxybenzoate?
methyl 4-(4-methylpiperidin-4-yl)oxybenzoate has a molecular weight of 249.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methylpiperidin-4-yl)oxybenzoate is sourced from PubChem (CID 117053542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).