1-[2-[2-[methyl-(1-methylpiperidin-3-yl)amino]ethoxy]phenyl]ethanone

C17H26N2O2 — CID 62547332

IUPAC1-[2-[2-[methyl-(1-methylpiperidin-3-yl)amino]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCN(C)C1CCCN(C)C1
InChIInChI=1S/C17H26N2O2/c1-14(20)16-8-4-5-9-17(16)21-12-11-19(3)15-7-6-10-18(2)13-15/h4-5,8-9,15H,6-7,10-13H2,1-3H3
InChIKeyFJDVWABILYMTFX-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.29
Rot. Bonds6

About 1-[2-[2-[methyl-(1-methylpiperidin-3-yl)amino]ethoxy]phenyl]ethanone

1-[2-[2-[methyl-(1-methylpiperidin-3-yl)amino]ethoxy]phenyl]ethanone (PubChem CID 62547332) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[2-[2-[methyl-(1-methylpiperidin-3-yl)amino]ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-[methyl-(1-methylpiperidin-3-yl)amino]ethoxy]phenyl]ethanone
PubChem CID62547332
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[2-[2-[methyl-(1-methylpiperidin-3-yl)amino]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCN(C)C1CCCN(C)C1
InChIInChI=1S/C17H26N2O2/c1-14(20)16-8-4-5-9-17(16)21-12-11-19(3)15-7-6-10-18(2)13-15/h4-5,8-9,15H,6-7,10-13H2,1-3H3
InChIKeyFJDVWABILYMTFX-UHFFFAOYSA-N
XLogP2.29
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-[cycloheptyl(methyl)amino]ethoxy]phenyl]ethanone
CID 43233074
1-[2-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanone
CID 55125855
1-[2-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 43433400
1-[2-[2-[cyclopropyl(ethyl)amino]ethoxy]phenyl]ethanone
CID 43426605
2-[3-[methyl-(1-methylpiperidin-4-yl)amino]propoxy]benzoic acid
CID 22683833
1-[2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]phenyl]ethanone
CID 60966894
1-[2-[2-[cyclopropylmethyl(propyl)amino]ethoxy]phenyl]ethanone
CID 60689525
1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone
CID 65250241
1-[2-[2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]ethoxy]phenyl]ethanone
CID 94177929
1-[2-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanone
CID 117051814
N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037362
1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 60965814

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[methyl-(1-methylpiperidin-3-yl)amino]ethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-[methyl-(1-methylpiperidin-3-yl)amino]ethoxy]phenyl]ethanone (CID 62547332) is 1-[2-[2-[methyl-(1-methylpiperidin-3-yl)amino]ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-[methyl-(1-methylpiperidin-3-yl)amino]ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-[methyl-(1-methylpiperidin-3-yl)amino]ethoxy]phenyl]ethanone is CC(=O)c1ccccc1OCCN(C)C1CCCN(C)C1.
What is the InChIKey of 1-[2-[2-[methyl-(1-methylpiperidin-3-yl)amino]ethoxy]phenyl]ethanone?
The InChIKey is FJDVWABILYMTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(20)16-8-4-5-9-17(16)21-12-11-19(3)15-7-6-10-18(2)13-15/h4-5,8-9,15H,6-7,10-13H2,1-3H3.
What are the key properties of 1-[2-[2-[methyl-(1-methylpiperidin-3-yl)amino]ethoxy]phenyl]ethanone?
1-[2-[2-[methyl-(1-methylpiperidin-3-yl)amino]ethoxy]phenyl]ethanone has a molecular weight of 290.41 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[methyl-(1-methylpiperidin-3-yl)amino]ethoxy]phenyl]ethanone is sourced from PubChem (CID 62547332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).