2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenyl)acetate

C16H24N2O2 — CID 107913384

IUPAC2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenyl)acetate
SMILESCN1CCCCC1CCOC(=O)Cc1cccc(N)c1
InChIInChI=1S/C16H24N2O2/c1-18-9-3-2-7-15(18)8-10-20-16(19)12-13-5-4-6-14(17)11-13/h4-6,11,15H,2-3,7-10,12,17H2,1H3
InChIKeyFYXGGNWMVJYZKK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.23
Rot. Bonds5

About 2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenyl)acetate

2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenyl)acetate (PubChem CID 107913384) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenyl)acetate.

Molecular Properties

Compound Name2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenyl)acetate
PubChem CID107913384
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenyl)acetate
SMILESCN1CCCCC1CCOC(=O)Cc1cccc(N)c1
InChIInChI=1S/C16H24N2O2/c1-18-9-3-2-7-15(18)8-10-20-16(19)12-13-5-4-6-14(17)11-13/h4-6,11,15H,2-3,7-10,12,17H2,1H3
InChIKeyFYXGGNWMVJYZKK-UHFFFAOYSA-N
XLogP2.23
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenoxy)acetate
CID 107913344
2-(1-methylpiperidin-2-yl)ethyl 2-(4-aminophenoxy)acetate
CID 107913305
[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036
3-[[(2S)-1-methylpyrrolidin-2-yl]methoxymethyl]aniline
CID 18335035
2-(3-aminophenyl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 62498346
2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine
CID 103616830
2-(1-methylpyrrolidin-2-yl)ethyl furan-2-carboxylate
CID 23738695
cycloheptyl 2-(3-aminophenyl)acetate
CID 62499374
3-amino-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]benzamide;dihydrochloride
CID 119894091
3-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]aniline
CID 114015315
2-(1-methylpiperidin-2-yl)ethyl 5-aminopyridine-2-carboxylate
CID 104934308
2-(1-methylpiperidin-2-yl)ethyl 3-amino-5-chlorobenzoate
CID 107913411

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenyl)acetate?
The IUPAC name of 2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenyl)acetate (CID 107913384) is 2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenyl)acetate.
What is the SMILES notation for 2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenyl)acetate?
The canonical SMILES for 2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenyl)acetate is CN1CCCCC1CCOC(=O)Cc1cccc(N)c1.
What is the InChIKey of 2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenyl)acetate?
The InChIKey is FYXGGNWMVJYZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18-9-3-2-7-15(18)8-10-20-16(19)12-13-5-4-6-14(17)11-13/h4-6,11,15H,2-3,7-10,12,17H2,1H3.
What are the key properties of 2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenyl)acetate?
2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenyl)acetate has a molecular weight of 276.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenyl)acetate is sourced from PubChem (CID 107913384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).