2-[4-methyl-2-(methylaminomethyl)phenoxy]-1-piperidin-1-ylethanone

C16H24N2O2 — CID 63323495

IUPAC2-[4-methyl-2-(methylaminomethyl)phenoxy]-1-piperidin-1-ylethanone
SMILESCNCc1cc(C)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C16H24N2O2/c1-13-6-7-15(14(10-13)11-17-2)20-12-16(19)18-8-4-3-5-9-18/h6-7,10,17H,3-5,8-9,11-12H2,1-2H3
InChIKeyIXXAMWDKXJBLDV-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.11
Rot. Bonds5

About 2-[4-methyl-2-(methylaminomethyl)phenoxy]-1-piperidin-1-ylethanone

2-[4-methyl-2-(methylaminomethyl)phenoxy]-1-piperidin-1-ylethanone (PubChem CID 63323495) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[4-methyl-2-(methylaminomethyl)phenoxy]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-methyl-2-(methylaminomethyl)phenoxy]-1-piperidin-1-ylethanone
PubChem CID63323495
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[4-methyl-2-(methylaminomethyl)phenoxy]-1-piperidin-1-ylethanone
SMILESCNCc1cc(C)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C16H24N2O2/c1-13-6-7-15(14(10-13)11-17-2)20-12-16(19)18-8-4-3-5-9-18/h6-7,10,17H,3-5,8-9,11-12H2,1-2H3
InChIKeyIXXAMWDKXJBLDV-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-[4-bromo-2-(methylaminomethyl)phenoxy]ethanone
CID 43277454
2-[2-(hydroxymethyl)-4-methylphenoxy]-1-pyrrolidin-1-ylethanone
CID 63325592
2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylethanone
CID 61312995
2-[4-methyl-2-(methylaminomethyl)phenoxy]acetamide
CID 63322657
2-[2-[[2-(2-methoxy-5-methylphenyl)ethylamino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 119109358
5-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzenesulfonyl chloride
CID 82911716
2-[2-(azetidin-1-yl)-2-oxoethoxy]-5-methylbenzoic acid
CID 61379862
2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone
CID 60667529
4-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid
CID 45320509
2-(2,5-dimethylphenoxy)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 134026636
2-[4-fluoro-2-(propylaminomethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 107695945
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylethanone
CID 43268016

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(methylaminomethyl)phenoxy]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-methyl-2-(methylaminomethyl)phenoxy]-1-piperidin-1-ylethanone (CID 63323495) is 2-[4-methyl-2-(methylaminomethyl)phenoxy]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-methyl-2-(methylaminomethyl)phenoxy]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-methyl-2-(methylaminomethyl)phenoxy]-1-piperidin-1-ylethanone is CNCc1cc(C)ccc1OCC(=O)N1CCCCC1.
What is the InChIKey of 2-[4-methyl-2-(methylaminomethyl)phenoxy]-1-piperidin-1-ylethanone?
The InChIKey is IXXAMWDKXJBLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-6-7-15(14(10-13)11-17-2)20-12-16(19)18-8-4-3-5-9-18/h6-7,10,17H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of 2-[4-methyl-2-(methylaminomethyl)phenoxy]-1-piperidin-1-ylethanone?
2-[4-methyl-2-(methylaminomethyl)phenoxy]-1-piperidin-1-ylethanone has a molecular weight of 276.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(methylaminomethyl)phenoxy]-1-piperidin-1-ylethanone is sourced from PubChem (CID 63323495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).