methyl 2-[(1-methylpiperidin-4-yl)amino]benzoate

C14H20N2O2 — CID 43139508

IUPACmethyl 2-[(1-methylpiperidin-4-yl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC1CCN(C)CC1
InChIInChI=1S/C14H20N2O2/c1-16-9-7-11(8-10-16)15-13-6-4-3-5-12(13)14(17)18-2/h3-6,11,15H,7-10H2,1-2H3
InChIKeyVIMVFKFINYLAOG-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.98
Rot. Bonds3

About methyl 2-[(1-methylpiperidin-4-yl)amino]benzoate

methyl 2-[(1-methylpiperidin-4-yl)amino]benzoate (PubChem CID 43139508) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is methyl 2-[(1-methylpiperidin-4-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(1-methylpiperidin-4-yl)amino]benzoate
PubChem CID43139508
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namemethyl 2-[(1-methylpiperidin-4-yl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC1CCN(C)CC1
InChIInChI=1S/C14H20N2O2/c1-16-9-7-11(8-10-16)15-13-6-4-3-5-12(13)14(17)18-2/h3-6,11,15H,7-10H2,1-2H3
InChIKeyVIMVFKFINYLAOG-UHFFFAOYSA-N
XLogP1.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(cyclopropylamino)benzoate
CID 83697867
methyl 2-[(4-methylcycloheptyl)amino]benzoate
CID 65081177
methyl 2-[(4,4-dimethylcycloheptyl)amino]benzoate
CID 65084413
methyl 3-[(1-carbamoylpiperidin-4-yl)amino]-2-methylbenzoate
CID 43784592
methyl (E)-3-[2-[(1-methylpiperidin-4-yl)amino]phenyl]prop-2-enoate
CID 67492674
N,2-dimethyl-3-[(1-methylpiperidin-4-yl)amino]benzamide
CID 43734523
methyl 2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzoate
CID 115998672
methyl 2-(1-azabicyclo[2.2.2]octan-3-ylamino)benzoate
CID 43321974
ethyl 2-(cyclopropylamino)benzoate
CID 103438878
methyl 2-methyl-3-[(1-methylpiperidine-4-carbonyl)amino]benzoate
CID 50875352
N-[2-(benzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine
CID 13431722
N-methyl-2-[2-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide
CID 43692186

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-methylpiperidin-4-yl)amino]benzoate?
The IUPAC name of methyl 2-[(1-methylpiperidin-4-yl)amino]benzoate (CID 43139508) is methyl 2-[(1-methylpiperidin-4-yl)amino]benzoate.
What is the SMILES notation for methyl 2-[(1-methylpiperidin-4-yl)amino]benzoate?
The canonical SMILES for methyl 2-[(1-methylpiperidin-4-yl)amino]benzoate is COC(=O)c1ccccc1NC1CCN(C)CC1.
What is the InChIKey of methyl 2-[(1-methylpiperidin-4-yl)amino]benzoate?
The InChIKey is VIMVFKFINYLAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16-9-7-11(8-10-16)15-13-6-4-3-5-12(13)14(17)18-2/h3-6,11,15H,7-10H2,1-2H3.
What are the key properties of methyl 2-[(1-methylpiperidin-4-yl)amino]benzoate?
methyl 2-[(1-methylpiperidin-4-yl)amino]benzoate has a molecular weight of 248.33 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-methylpiperidin-4-yl)amino]benzoate is sourced from PubChem (CID 43139508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).