2-[2-(aminomethyl)phenoxy]-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone

C16H24N2O3 — CID 107390358

IUPAC2-[2-(aminomethyl)phenoxy]-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
SMILESCOC1(C)CCCN(C(=O)COc2ccccc2CN)C1
InChIInChI=1S/C16H24N2O3/c1-16(20-2)8-5-9-18(12-16)15(19)11-21-14-7-4-3-6-13(14)10-17/h3-4,6-7H,5,8-12,17H2,1-2H3
InChIKeyFVJNUXLDBQOLKE-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.55
Rot. Bonds5

About 2-[2-(aminomethyl)phenoxy]-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone

2-[2-(aminomethyl)phenoxy]-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone (PubChem CID 107390358) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenoxy]-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenoxy]-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
PubChem CID107390358
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[2-(aminomethyl)phenoxy]-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
SMILESCOC1(C)CCCN(C(=O)COc2ccccc2CN)C1
InChIInChI=1S/C16H24N2O3/c1-16(20-2)8-5-9-18(12-16)15(19)11-21-14-7-4-3-6-13(14)10-17/h3-4,6-7H,5,8-12,17H2,1-2H3
InChIKeyFVJNUXLDBQOLKE-UHFFFAOYSA-N
XLogP1.55
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(aminomethyl)phenoxy]-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(aminomethyl)phenoxy]-1-(4,4-dimethylazepan-1-yl)ethanone
CID 65283261
2-[2-(aminomethyl)phenoxy]-1-(4-ethyl-4-methylpiperidin-1-yl)ethanone
CID 63157315
2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107395939
2-[2-(aminomethyl)phenoxy]-1-(1,4-oxazepan-4-yl)ethanone
CID 55154462
2-[2-(aminomethyl)phenoxy]-1-(1,3-dihydroisoindol-2-yl)ethanone
CID 62204457
2-[2-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103530183
2-[2-(aminomethyl)phenoxy]-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103504976
2-(2-fluorophenoxy)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115875253
2-[2-(2-aminoethyl)phenoxy]-1-piperidin-1-ylethanone
CID 54931191
benzyl 3-methoxy-3-methylpiperidine-1-carboxylate
CID 130477377
4-amino-1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-one
CID 107392361
2-[2-(aminomethyl)phenoxy]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 30080646

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenoxy]-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[2-(aminomethyl)phenoxy]-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone (CID 107390358) is 2-[2-(aminomethyl)phenoxy]-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(aminomethyl)phenoxy]-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[2-(aminomethyl)phenoxy]-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone is COC1(C)CCCN(C(=O)COc2ccccc2CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)phenoxy]-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone?
The InChIKey is FVJNUXLDBQOLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(20-2)8-5-9-18(12-16)15(19)11-21-14-7-4-3-6-13(14)10-17/h3-4,6-7H,5,8-12,17H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)phenoxy]-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone?
2-[2-(aminomethyl)phenoxy]-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone has a molecular weight of 292.38 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenoxy]-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 107390358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).