2-(1-methylpiperidin-2-yl)ethyl 4-amino-3-methoxybenzoate

C16H24N2O3 — CID 107913430

IUPAC2-(1-methylpiperidin-2-yl)ethyl 4-amino-3-methoxybenzoate
SMILESCOc1cc(C(=O)OCCC2CCCCN2C)ccc1N
InChIInChI=1S/C16H24N2O3/c1-18-9-4-3-5-13(18)8-10-21-16(19)12-6-7-14(17)15(11-12)20-2/h6-7,11,13H,3-5,8-10,17H2,1-2H3
InChIKeyRTJWPLJBIKSITO-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.31
Rot. Bonds5

About 2-(1-methylpiperidin-2-yl)ethyl 4-amino-3-methoxybenzoate

2-(1-methylpiperidin-2-yl)ethyl 4-amino-3-methoxybenzoate (PubChem CID 107913430) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(1-methylpiperidin-2-yl)ethyl 4-amino-3-methoxybenzoate.

Molecular Properties

Compound Name2-(1-methylpiperidin-2-yl)ethyl 4-amino-3-methoxybenzoate
PubChem CID107913430
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(1-methylpiperidin-2-yl)ethyl 4-amino-3-methoxybenzoate
SMILESCOc1cc(C(=O)OCCC2CCCCN2C)ccc1N
InChIInChI=1S/C16H24N2O3/c1-18-9-4-3-5-13(18)8-10-21-16(19)12-6-7-14(17)15(11-12)20-2/h6-7,11,13H,3-5,8-10,17H2,1-2H3
InChIKeyRTJWPLJBIKSITO-UHFFFAOYSA-N
XLogP2.31
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 3-amino-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoate
CID 61305476
2-(1-methylpiperidin-2-yl)ethyl 5-amino-2,4-dimethylbenzoate
CID 107913432
2-(1-methylpiperidin-2-yl)ethyl 3-amino-5-chlorobenzoate
CID 107913411
2-(1-methylpiperidin-2-yl)ethyl 2-amino-4-chlorobenzoate
CID 107913336
(4-amino-3-methoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 104782453
(4-amino-3-methoxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 104782396
2-(1-methylpiperidin-2-yl)ethyl 5-aminopyridine-2-carboxylate
CID 104934308
(4-amino-3-methoxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210005
4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide
CID 89186292
3-amino-N-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzamide
CID 82999437
(1-methylpiperidin-4-yl) 4-amino-3-methoxybenzoate
CID 104783906
methyl 4-amino-3-(2-cyclopentylethoxy)benzoate
CID 114191521

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-2-yl)ethyl 4-amino-3-methoxybenzoate?
The IUPAC name of 2-(1-methylpiperidin-2-yl)ethyl 4-amino-3-methoxybenzoate (CID 107913430) is 2-(1-methylpiperidin-2-yl)ethyl 4-amino-3-methoxybenzoate.
What is the SMILES notation for 2-(1-methylpiperidin-2-yl)ethyl 4-amino-3-methoxybenzoate?
The canonical SMILES for 2-(1-methylpiperidin-2-yl)ethyl 4-amino-3-methoxybenzoate is COc1cc(C(=O)OCCC2CCCCN2C)ccc1N.
What is the InChIKey of 2-(1-methylpiperidin-2-yl)ethyl 4-amino-3-methoxybenzoate?
The InChIKey is RTJWPLJBIKSITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-18-9-4-3-5-13(18)8-10-21-16(19)12-6-7-14(17)15(11-12)20-2/h6-7,11,13H,3-5,8-10,17H2,1-2H3.
What are the key properties of 2-(1-methylpiperidin-2-yl)ethyl 4-amino-3-methoxybenzoate?
2-(1-methylpiperidin-2-yl)ethyl 4-amino-3-methoxybenzoate has a molecular weight of 292.38 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-2-yl)ethyl 4-amino-3-methoxybenzoate is sourced from PubChem (CID 107913430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).