1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-2-one

C14H20N2O2 — CID 43253927

IUPAC1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-2-one
SMILESNCc1ccccc1OCCN1CCCCC1=O
InChIInChI=1S/C14H20N2O2/c15-11-12-5-1-2-6-13(12)18-10-9-16-8-4-3-7-14(16)17/h1-2,5-6H,3-4,7-11,15H2
InChIKeyXFMLUPRHRHRRBI-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.54
Rot. Bonds5

About 1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-2-one

1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-2-one (PubChem CID 43253927) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-2-one
PubChem CID43253927
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-2-one
SMILESNCc1ccccc1OCCN1CCCCC1=O
InChIInChI=1S/C14H20N2O2/c15-11-12-5-1-2-6-13(12)18-10-9-16-8-4-3-7-14(16)17/h1-2,5-6H,3-4,7-11,15H2
InChIKeyXFMLUPRHRHRRBI-UHFFFAOYSA-N
XLogP1.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(3-aminopropyl)phenoxy]ethyl]pyrrolidin-2-one
CID 170879211
4-[2-[2-(aminomethyl)phenoxy]ethyl]morpholin-3-one
CID 79468945
2-[2-[2-(aminomethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62936473
1-(2-phenoxyethyl)azepan-2-one
CID 10513813
1-[2-(2-methanehydrazonoylphenoxy)ethyl]pyrrolidin-2-one
CID 168530961
1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-methylpyrrolidin-2-one
CID 63103704
1-[2-(2-acetylphenoxy)ethyl]pyrrolidin-2-one
CID 62019351
1-[2-[2-[(1R)-1-amino-2-hydroxyethyl]phenoxy]ethyl]pyrrolidin-2-one
CID 66515853
1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511003
3-[3-[2-(aminomethyl)phenoxy]propyl]-1-methylimidazolidine-2,4-dione
CID 43253918
1-[2-(3-aminophenoxy)ethyl]piperidin-2-one
CID 43365814
2-[[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methylideneamino]guanidine
CID 168591840

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-2-one?
The IUPAC name of 1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-2-one (CID 43253927) is 1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-2-one is NCc1ccccc1OCCN1CCCCC1=O.
What is the InChIKey of 1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-2-one?
The InChIKey is XFMLUPRHRHRRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-11-12-5-1-2-6-13(12)18-10-9-16-8-4-3-7-14(16)17/h1-2,5-6H,3-4,7-11,15H2.
What are the key properties of 1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-2-one?
1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-2-one is sourced from PubChem (CID 43253927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).