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

C16H24N2O2 — CID 106486108

IUPAC2-[3-(methylaminomethyl)phenoxy]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCNCc1cccc(OCC(=O)N2CCCCC2C)c1
InChIInChI=1S/C16H24N2O2/c1-13-6-3-4-9-18(13)16(19)12-20-15-8-5-7-14(10-15)11-17-2/h5,7-8,10,13,17H,3-4,6,9,11-12H2,1-2H3
InChIKeyINOQERMSGROXIQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.19
Rot. Bonds5

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

2-[3-(methylaminomethyl)phenoxy]-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 106486108) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[3-(methylaminomethyl)phenoxy]-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-(methylaminomethyl)phenoxy]-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID106486108
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[3-(methylaminomethyl)phenoxy]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCNCc1cccc(OCC(=O)N2CCCCC2C)c1
InChIInChI=1S/C16H24N2O2/c1-13-6-3-4-9-18(13)16(19)12-20-15-8-5-7-14(10-15)11-17-2/h5,7-8,10,13,17H,3-4,6,9,11-12H2,1-2H3
InChIKeyINOQERMSGROXIQ-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(methylaminomethyl)phenoxy]-1-(3-methylpiperidin-1-yl)ethanone
CID 106485942
2-fluoro-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]benzoic acid
CID 107675285
2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 4541588
1-[[3-(3-hydroxypropoxy)phenyl]methyl]-3-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]urea
CID 142090604
1-[2-(3-methylphenoxy)acetyl]piperidine-2-carboxylic acid
CID 43092194
2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenoxy]acetic acid
CID 61186973
ethyl 2-[3-(methylaminomethyl)phenoxy]acetate
CID 60882222
4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzenesulfonamide
CID 94172220
methyl N-[2-[3-(methylaminomethyl)phenoxy]acetyl]carbamate
CID 106486093
1-(2-methylpiperidin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 112787708
2-[3-[(cyclohexylamino)methyl]phenoxy]acetic acid
CID 102535848
(2R)-N-benzyl-1-(2-phenoxyacetyl)piperidine-2-carboxamide
CID 118738129

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylaminomethyl)phenoxy]-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[3-(methylaminomethyl)phenoxy]-1-(2-methylpiperidin-1-yl)ethanone (CID 106486108) is 2-[3-(methylaminomethyl)phenoxy]-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[3-(methylaminomethyl)phenoxy]-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[3-(methylaminomethyl)phenoxy]-1-(2-methylpiperidin-1-yl)ethanone is CNCc1cccc(OCC(=O)N2CCCCC2C)c1.
What is the InChIKey of 2-[3-(methylaminomethyl)phenoxy]-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is INOQERMSGROXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-6-3-4-9-18(13)16(19)12-20-15-8-5-7-14(10-15)11-17-2/h5,7-8,10,13,17H,3-4,6,9,11-12H2,1-2H3.
What are the key properties of 2-[3-(methylaminomethyl)phenoxy]-1-(2-methylpiperidin-1-yl)ethanone?
2-[3-(methylaminomethyl)phenoxy]-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 276.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylaminomethyl)phenoxy]-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 106486108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).