1-[2-(3-aminophenoxy)ethyl]piperidin-2-one

C13H18N2O2 — CID 43365814

IUPAC1-[2-(3-aminophenoxy)ethyl]piperidin-2-one
SMILESNc1cccc(OCCN2CCCCC2=O)c1
InChIInChI=1S/C13H18N2O2/c14-11-4-3-5-12(10-11)17-9-8-15-7-2-1-6-13(15)16/h3-5,10H,1-2,6-9,14H2
InChIKeyWUOGWRUQPOMVQI-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.66
Rot. Bonds4

About 1-[2-(3-aminophenoxy)ethyl]piperidin-2-one

1-[2-(3-aminophenoxy)ethyl]piperidin-2-one (PubChem CID 43365814) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[2-(3-aminophenoxy)ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-(3-aminophenoxy)ethyl]piperidin-2-one
PubChem CID43365814
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-[2-(3-aminophenoxy)ethyl]piperidin-2-one
SMILESNc1cccc(OCCN2CCCCC2=O)c1
InChIInChI=1S/C13H18N2O2/c14-11-4-3-5-12(10-11)17-9-8-15-7-2-1-6-13(15)16/h3-5,10H,1-2,6-9,14H2
InChIKeyWUOGWRUQPOMVQI-UHFFFAOYSA-N
XLogP1.66
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(3-aminophenoxy)propyl]pyrrolidin-2-one
CID 43365688
1-(2-phenoxyethyl)azepan-2-one
CID 10513813
3-[2-(2-oxoazocan-1-yl)ethoxy]benzonitrile
CID 43289123
1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94686427
3-[3-(2-oxopiperidin-1-yl)propoxy]benzenecarbothioamide
CID 43290924
1-(2-naphthalen-2-yloxyethyl)pyrrolidin-2-one
CID 82132102
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one
CID 82132664
1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94711360
1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one
CID 59174585
N-[2-(3-aminophenoxy)acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 61035856
1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one
CID 94702209
1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-2-one
CID 43253927

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-aminophenoxy)ethyl]piperidin-2-one?
The IUPAC name of 1-[2-(3-aminophenoxy)ethyl]piperidin-2-one (CID 43365814) is 1-[2-(3-aminophenoxy)ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-(3-aminophenoxy)ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-(3-aminophenoxy)ethyl]piperidin-2-one is Nc1cccc(OCCN2CCCCC2=O)c1.
What is the InChIKey of 1-[2-(3-aminophenoxy)ethyl]piperidin-2-one?
The InChIKey is WUOGWRUQPOMVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-11-4-3-5-12(10-11)17-9-8-15-7-2-1-6-13(15)16/h3-5,10H,1-2,6-9,14H2.
What are the key properties of 1-[2-(3-aminophenoxy)ethyl]piperidin-2-one?
1-[2-(3-aminophenoxy)ethyl]piperidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-aminophenoxy)ethyl]piperidin-2-one is sourced from PubChem (CID 43365814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).