3-(3-methylphenoxy)-1-(3-methylpiperazin-1-yl)propan-1-one

C15H22N2O2 — CID 65418099

IUPAC3-(3-methylphenoxy)-1-(3-methylpiperazin-1-yl)propan-1-one
SMILESCc1cccc(OCCC(=O)N2CCNC(C)C2)c1
InChIInChI=1S/C15H22N2O2/c1-12-4-3-5-14(10-12)19-9-6-15(18)17-8-7-16-13(2)11-17/h3-5,10,13,16H,6-9,11H2,1-2H3
InChIKeyXLRPJMCDYCTKMD-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.58
Rot. Bonds4

About 3-(3-methylphenoxy)-1-(3-methylpiperazin-1-yl)propan-1-one

3-(3-methylphenoxy)-1-(3-methylpiperazin-1-yl)propan-1-one (PubChem CID 65418099) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(3-methylphenoxy)-1-(3-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-methylphenoxy)-1-(3-methylpiperazin-1-yl)propan-1-one
PubChem CID65418099
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(3-methylphenoxy)-1-(3-methylpiperazin-1-yl)propan-1-one
SMILESCc1cccc(OCCC(=O)N2CCNC(C)C2)c1
InChIInChI=1S/C15H22N2O2/c1-12-4-3-5-14(10-12)19-9-6-15(18)17-8-7-16-13(2)11-17/h3-5,10,13,16H,6-9,11H2,1-2H3
InChIKeyXLRPJMCDYCTKMD-UHFFFAOYSA-N
XLogP1.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402035
3-(2,4-dimethylphenoxy)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 119578824
1-[3-(methylamino)pyrrolidin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 81466275
1-(4-amino-3-methylpiperidin-1-yl)-3-(3-methylphenoxy)propan-1-one
CID 79867710
3-(3-methylphenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 62672416
1-[2-(hydroxymethyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-1-one
CID 81208849
4-methyl-1-[3-(3-methylphenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63720461
3-(3-methylphenoxy)-1-morpholin-4-ylpropan-1-one
CID 60635766
1-[3-(3-methylphenoxy)propanoyl]piperidin-4-one
CID 24708517
(3S)-3-methyl-1-[2-(3-methylphenoxy)ethyl]piperazine
CID 51980514
1-[3-(bromomethyl)piperidin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 80660691
4-(4-chloro-3-methylphenoxy)-1-(3-methylpiperazin-1-yl)butan-1-one;hydrochloride
CID 119577495

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenoxy)-1-(3-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(3-methylphenoxy)-1-(3-methylpiperazin-1-yl)propan-1-one (CID 65418099) is 3-(3-methylphenoxy)-1-(3-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(3-methylphenoxy)-1-(3-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(3-methylphenoxy)-1-(3-methylpiperazin-1-yl)propan-1-one is Cc1cccc(OCCC(=O)N2CCNC(C)C2)c1.
What is the InChIKey of 3-(3-methylphenoxy)-1-(3-methylpiperazin-1-yl)propan-1-one?
The InChIKey is XLRPJMCDYCTKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-4-3-5-14(10-12)19-9-6-15(18)17-8-7-16-13(2)11-17/h3-5,10,13,16H,6-9,11H2,1-2H3.
What are the key properties of 3-(3-methylphenoxy)-1-(3-methylpiperazin-1-yl)propan-1-one?
3-(3-methylphenoxy)-1-(3-methylpiperazin-1-yl)propan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenoxy)-1-(3-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 65418099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).