1-[4-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanone

C16H24N2O3 — CID 82886096

IUPAC1-[4-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanone
SMILESCOc1ccc(C(C)=O)c(OCCN2CCN(C)CC2)c1
InChIInChI=1S/C16H24N2O3/c1-13(19)15-5-4-14(20-3)12-16(15)21-11-10-18-8-6-17(2)7-9-18/h4-5,12H,6-11H2,1-3H3
InChIKeyTYIIDUJZUMRHQZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.52
Rot. Bonds6

About 1-[4-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanone

1-[4-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanone (PubChem CID 82886096) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[4-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanone
PubChem CID82886096
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[4-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanone
SMILESCOc1ccc(C(C)=O)c(OCCN2CCN(C)CC2)c1
InChIInChI=1S/C16H24N2O3/c1-13(19)15-5-4-14(20-3)12-16(15)21-11-10-18-8-6-17(2)7-9-18/h4-5,12H,6-11H2,1-3H3
InChIKeyTYIIDUJZUMRHQZ-UHFFFAOYSA-N
XLogP1.52
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22687707
1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93191408
4-methyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]benzoic acid
CID 82889522
[5-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine
CID 82889010
1-[4-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanone
CID 82971448
1-[4-methoxy-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanone
CID 103801800
1-[4-methoxy-2-[2-(trifluoromethoxy)ethoxy]phenyl]ethanone
CID 82001830
1-[2-[2-(diethylamino)ethoxy]-4-methoxyphenyl]ethanone
CID 82002145
2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methoxybenzoic acid
CID 61379508
1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanone
CID 82001062
1-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]ethanone;hydrochloride
CID 2992980
2-piperidin-1-ylethyl 2,4-dimethoxybenzoate
CID 838965

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanone?
The IUPAC name of 1-[4-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanone (CID 82886096) is 1-[4-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanone is COc1ccc(C(C)=O)c(OCCN2CCN(C)CC2)c1.
What is the InChIKey of 1-[4-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanone?
The InChIKey is TYIIDUJZUMRHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-13(19)15-5-4-14(20-3)12-16(15)21-11-10-18-8-6-17(2)7-9-18/h4-5,12H,6-11H2,1-3H3.
What are the key properties of 1-[4-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanone?
1-[4-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanone has a molecular weight of 292.38 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanone is sourced from PubChem (CID 82886096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).