1-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone

C17H26N2O2 — CID 82037453

IUPAC1-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCC(C)CN2CCN(C)CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-14(12-19-10-8-18(3)9-11-19)13-21-17-6-4-16(5-7-17)15(2)20/h4-7,14H,8-13H2,1-3H3
InChIKeyZTAHTHZHVCOYES-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.15
Rot. Bonds6

About 1-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone

1-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone (PubChem CID 82037453) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone
PubChem CID82037453
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCC(C)CN2CCN(C)CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-14(12-19-10-8-18(3)9-11-19)13-21-17-6-4-16(5-7-17)15(2)20/h4-7,14H,8-13H2,1-3H3
InChIKeyZTAHTHZHVCOYES-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[3-(azepan-1-yl)-2-methylpropoxy]phenyl]ethanone
CID 82037445
4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]benzoic acid
CID 3151266
1-[4-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 4227652
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 7081025
1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone;hydrochloride
CID 16806994
1-[4-(2-methylpropoxy)phenyl]ethanone
CID 2063678
1-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]ethanone
CID 4551855
3-[2-methyl-3-(4-methylpiperazin-1-yl)propoxy]aniline
CID 82036982
(1R)-1-[4-(2-methylbutoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 67430850
4-[(4-methylpiperazin-1-yl)methoxy]benzoic acid
CID 20993713
(2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 8741482
1-[4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
CID 46596157

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone (CID 82037453) is 1-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone is CC(=O)c1ccc(OCC(C)CN2CCN(C)CC2)cc1.
What is the InChIKey of 1-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone?
The InChIKey is ZTAHTHZHVCOYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(12-19-10-8-18(3)9-11-19)13-21-17-6-4-16(5-7-17)15(2)20/h4-7,14H,8-13H2,1-3H3.
What are the key properties of 1-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone?
1-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone has a molecular weight of 290.41 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone is sourced from PubChem (CID 82037453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).