1-(2-methyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one

C17H26N2O2 — CID 82264527

IUPAC1-(2-methyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
SMILESCCCOc1ccc(C(=O)CCN2CCNCC2)c(C)c1
InChIInChI=1S/C17H26N2O2/c1-3-12-21-15-4-5-16(14(2)13-15)17(20)6-9-19-10-7-18-8-11-19/h4-5,13,18H,3,6-12H2,1-2H3
InChIKeyGFDKMBIAFCTSET-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.26
Rot. Bonds7

About 1-(2-methyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one

1-(2-methyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one (PubChem CID 82264527) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(2-methyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-methyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
PubChem CID82264527
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(2-methyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
SMILESCCCOc1ccc(C(=O)CCN2CCNCC2)c(C)c1
InChIInChI=1S/C17H26N2O2/c1-3-12-21-15-4-5-16(14(2)13-15)17(20)6-9-19-10-7-18-8-11-19/h4-5,13,18H,3,6-12H2,1-2H3
InChIKeyGFDKMBIAFCTSET-UHFFFAOYSA-N
XLogP2.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-methyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methyl-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 566846
1-(2-methyl-4-propoxyphenyl)-2-piperazin-1-ylethanone
CID 82264526
1-(2,6-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266630
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064821
1-(2,3-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266393
1-(2-chloro-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82267623
1-[2-hydroxy-4-(2-piperidin-1-ylethoxy)phenyl]butan-1-one
CID 30266
1-(4-methoxy-2,6-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82136471
1-[4-(2,6-dimethyl-4-propoxyphenyl)butyl]piperazine
CID 83940345
1-(4-butoxy-2-fluorophenyl)-2-piperazin-1-ylethanone
CID 165354806
2-methyl-4-propoxybenzoyl chloride
CID 82631959
3-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 39257182

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(2-methyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one (CID 82264527) is 1-(2-methyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-methyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(2-methyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one is CCCOc1ccc(C(=O)CCN2CCNCC2)c(C)c1.
What is the InChIKey of 1-(2-methyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one?
The InChIKey is GFDKMBIAFCTSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-12-21-15-4-5-16(14(2)13-15)17(20)6-9-19-10-7-18-8-11-19/h4-5,13,18H,3,6-12H2,1-2H3.
What are the key properties of 1-(2-methyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one?
1-(2-methyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82264527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).