4-[[4-(2-aminoethyl)phenoxy]methyl]piperidin-2-one

C14H20N2O2 — CID 117095321

IUPAC4-[[4-(2-aminoethyl)phenoxy]methyl]piperidin-2-one
SMILESNCCc1ccc(OCC2CCNC(=O)C2)cc1
InChIInChI=1S/C14H20N2O2/c15-7-5-11-1-3-13(4-2-11)18-10-12-6-8-16-14(17)9-12/h1-4,12H,5-10,15H2,(H,16,17)
InChIKeyGWXNJVNAJOKGTR-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.09
Rot. Bonds5

About 4-[[4-(2-aminoethyl)phenoxy]methyl]piperidin-2-one

4-[[4-(2-aminoethyl)phenoxy]methyl]piperidin-2-one (PubChem CID 117095321) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[[4-(2-aminoethyl)phenoxy]methyl]piperidin-2-one.

Molecular Properties

Compound Name4-[[4-(2-aminoethyl)phenoxy]methyl]piperidin-2-one
PubChem CID117095321
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-[[4-(2-aminoethyl)phenoxy]methyl]piperidin-2-one
SMILESNCCc1ccc(OCC2CCNC(=O)C2)cc1
InChIInChI=1S/C14H20N2O2/c15-7-5-11-1-3-13(4-2-11)18-10-12-6-8-16-14(17)9-12/h1-4,12H,5-10,15H2,(H,16,17)
InChIKeyGWXNJVNAJOKGTR-UHFFFAOYSA-N
XLogP1.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(2-oxopiperidin-4-yl)methoxy]phenyl]propanoic acid
CID 117095209
4-[(2-oxopiperidin-4-yl)methoxy]benzaldehyde
CID 117052632
(4R)-4-(methoxymethyl)piperidin-2-one
CID 124538037
2-[4-(piperidin-4-ylmethoxy)phenyl]ethanol
CID 113242079
5-[[4-(aminomethyl)phenoxy]methyl]pyrrolidin-2-one
CID 107530711
2-[4-(dimethylphosphorylmethoxy)phenyl]ethanamine
CID 54076890
2-[(2-oxopiperidin-4-yl)methoxy]pyridine-3-carbonitrile
CID 117096458
ethane;(4S)-4-(ethoxymethyl)piperidin-2-one
CID 145338236
3-[[4-(2-methoxyethyl)phenoxy]methyl]pyrrolidine
CID 55064658
2-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]ethanamine
CID 170886569
3-[4-(cyclopropylmethoxy)phenyl]propanoic acid
CID 25019180
2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine
CID 138454042

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-aminoethyl)phenoxy]methyl]piperidin-2-one?
The IUPAC name of 4-[[4-(2-aminoethyl)phenoxy]methyl]piperidin-2-one (CID 117095321) is 4-[[4-(2-aminoethyl)phenoxy]methyl]piperidin-2-one.
What is the SMILES notation for 4-[[4-(2-aminoethyl)phenoxy]methyl]piperidin-2-one?
The canonical SMILES for 4-[[4-(2-aminoethyl)phenoxy]methyl]piperidin-2-one is NCCc1ccc(OCC2CCNC(=O)C2)cc1.
What is the InChIKey of 4-[[4-(2-aminoethyl)phenoxy]methyl]piperidin-2-one?
The InChIKey is GWXNJVNAJOKGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-7-5-11-1-3-13(4-2-11)18-10-12-6-8-16-14(17)9-12/h1-4,12H,5-10,15H2,(H,16,17).
What are the key properties of 4-[[4-(2-aminoethyl)phenoxy]methyl]piperidin-2-one?
4-[[4-(2-aminoethyl)phenoxy]methyl]piperidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-aminoethyl)phenoxy]methyl]piperidin-2-one is sourced from PubChem (CID 117095321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).