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

C16H24N2O3 — CID 107913344

IUPAC2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenoxy)acetate
SMILESCN1CCCCC1CCOC(=O)COc1cccc(N)c1
InChIInChI=1S/C16H24N2O3/c1-18-9-3-2-6-14(18)8-10-20-16(19)12-21-15-7-4-5-13(17)11-15/h4-5,7,11,14H,2-3,6,8-10,12,17H2,1H3
InChIKeyQELWRBTXYVREEE-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.07
Rot. Bonds6

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

2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenoxy)acetate (PubChem CID 107913344) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenoxy)acetate.

Molecular Properties

Compound Name2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenoxy)acetate
PubChem CID107913344
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenoxy)acetate
SMILESCN1CCCCC1CCOC(=O)COc1cccc(N)c1
InChIInChI=1S/C16H24N2O3/c1-18-9-3-2-6-14(18)8-10-20-16(19)12-21-15-7-4-5-13(17)11-15/h4-5,7,11,14H,2-3,6,8-10,12,17H2,1H3
InChIKeyQELWRBTXYVREEE-UHFFFAOYSA-N
XLogP2.07
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.07
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

2-(1-methylpiperidin-2-yl)ethyl 2-(4-aminophenoxy)acetate
CID 107913305
2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenyl)acetate
CID 107913384
2-(3-aminophenoxy)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 79303945
cyclopentylmethyl 2-(3-aminophenoxy)acetate
CID 61343036
3-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoic acid
CID 102823660
2-[2-(3-methoxyphenoxy)ethyl]-1-methylpiperidine
CID 70628177
cyclobutylmethyl 2-(3-aminophenoxy)acetate
CID 65457241
1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
CID 79168162
[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036
3-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethoxy]aniline
CID 79304456
2-(3-aminophenoxy)-1-(2-ethylpyrrolidin-1-yl)ethanone
CID 61103114
3-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide
CID 107912530

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenoxy)acetate?
The IUPAC name of 2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenoxy)acetate (CID 107913344) is 2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenoxy)acetate.
What is the SMILES notation for 2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenoxy)acetate?
The canonical SMILES for 2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenoxy)acetate is CN1CCCCC1CCOC(=O)COc1cccc(N)c1.
What is the InChIKey of 2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenoxy)acetate?
The InChIKey is QELWRBTXYVREEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-18-9-3-2-6-14(18)8-10-20-16(19)12-21-15-7-4-5-13(17)11-15/h4-5,7,11,14H,2-3,6,8-10,12,17H2,1H3.
What are the key properties of 2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenoxy)acetate?
2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenoxy)acetate has a molecular weight of 292.38 g/mol, XLogP of 2.07, 6 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 2-(3-aminophenoxy)acetate is sourced from PubChem (CID 107913344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).