2-(1-methylpiperidin-2-yl)ethyl 2-(4-aminophenoxy)acetate

C16H24N2O3 — CID 107913305

IUPAC2-(1-methylpiperidin-2-yl)ethyl 2-(4-aminophenoxy)acetate
SMILESCN1CCCCC1CCOC(=O)COc1ccc(N)cc1
InChIInChI=1S/C16H24N2O3/c1-18-10-3-2-4-14(18)9-11-20-16(19)12-21-15-7-5-13(17)6-8-15/h5-8,14H,2-4,9-12,17H2,1H3
InChIKeyRBPFZINMDVALQP-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.07
Rot. Bonds6

About 2-(1-methylpiperidin-2-yl)ethyl 2-(4-aminophenoxy)acetate

2-(1-methylpiperidin-2-yl)ethyl 2-(4-aminophenoxy)acetate (PubChem CID 107913305) 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-(4-aminophenoxy)acetate.

Molecular Properties

Compound Name2-(1-methylpiperidin-2-yl)ethyl 2-(4-aminophenoxy)acetate
PubChem CID107913305
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(1-methylpiperidin-2-yl)ethyl 2-(4-aminophenoxy)acetate
SMILESCN1CCCCC1CCOC(=O)COc1ccc(N)cc1
InChIInChI=1S/C16H24N2O3/c1-18-10-3-2-4-14(18)9-11-20-16(19)12-21-15-7-5-13(17)6-8-15/h5-8,14H,2-4,9-12,17H2,1H3
InChIKeyRBPFZINMDVALQP-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'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 5-aminopyridine-2-carboxylate
CID 104934308
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
CID 61100979
2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenyl)acetate
CID 107913384
2-[2-(4-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine
CID 54248259
3-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 107913129
[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 61102124
4-bromo-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline
CID 107911011
4-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]butan-2-ol
CID 107912801
2-(1-methylpiperidin-2-yl)ethyl 4-amino-3-methoxybenzoate
CID 107913430
(1-methylpyrrolidin-2-yl)methyl 3-(4-aminophenyl)butanoate
CID 70212986

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-2-yl)ethyl 2-(4-aminophenoxy)acetate?
The IUPAC name of 2-(1-methylpiperidin-2-yl)ethyl 2-(4-aminophenoxy)acetate (CID 107913305) is 2-(1-methylpiperidin-2-yl)ethyl 2-(4-aminophenoxy)acetate.
What is the SMILES notation for 2-(1-methylpiperidin-2-yl)ethyl 2-(4-aminophenoxy)acetate?
The canonical SMILES for 2-(1-methylpiperidin-2-yl)ethyl 2-(4-aminophenoxy)acetate is CN1CCCCC1CCOC(=O)COc1ccc(N)cc1.
What is the InChIKey of 2-(1-methylpiperidin-2-yl)ethyl 2-(4-aminophenoxy)acetate?
The InChIKey is RBPFZINMDVALQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-18-10-3-2-4-14(18)9-11-20-16(19)12-21-15-7-5-13(17)6-8-15/h5-8,14H,2-4,9-12,17H2,1H3.
What are the key properties of 2-(1-methylpiperidin-2-yl)ethyl 2-(4-aminophenoxy)acetate?
2-(1-methylpiperidin-2-yl)ethyl 2-(4-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-(4-aminophenoxy)acetate is sourced from PubChem (CID 107913305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).