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

C19H30N2O2 — CID 82266405

IUPAC1-(2,3-dimethyl-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
SMILESCCCOc1ccc(C(=O)C(C)CN2CCNCC2)c(C)c1C
InChIInChI=1S/C19H30N2O2/c1-5-12-23-18-7-6-17(15(3)16(18)4)19(22)14(2)13-21-10-8-20-9-11-21/h6-7,14,20H,5,8-13H2,1-4H3
InChIKeyVOUCABXMRYFKCY-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.82
Rot. Bonds7

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

1-(2,3-dimethyl-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one (PubChem CID 82266405) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-(2,3-dimethyl-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dimethyl-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
PubChem CID82266405
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name1-(2,3-dimethyl-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
SMILESCCCOc1ccc(C(=O)C(C)CN2CCNCC2)c(C)c1C
InChIInChI=1S/C19H30N2O2/c1-5-12-23-18-7-6-17(15(3)16(18)4)19(22)14(2)13-21-10-8-20-9-11-21/h6-7,14,20H,5,8-13H2,1-4H3
InChIKeyVOUCABXMRYFKCY-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dimethyl-4-propoxyphenyl)-2-methyl-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-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82266429
2-methyl-1-(5-methyl-2-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82263426
1-(2,3-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266393
1-(2-chloro-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82267669
1-(4-ethoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82266426
2-methyl-1-naphthalen-1-yl-3-piperazin-1-ylpropan-1-one
CID 82262999
cyclopropyl-(2,3-dimethyl-4-propoxyphenyl)methanone
CID 82266397
1-(4-hexoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82263314
1-(3,6-dimethyl-2-propan-2-yloxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82266866
1-[2-methoxy-4-(trifluoromethyl)phenyl]-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82262939
1-(4-chloro-2,3-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 14071351
1-(4-methoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82266482

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(2,3-dimethyl-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one (CID 82266405) is 1-(2,3-dimethyl-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2,3-dimethyl-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(2,3-dimethyl-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one is CCCOc1ccc(C(=O)C(C)CN2CCNCC2)c(C)c1C.
What is the InChIKey of 1-(2,3-dimethyl-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one?
The InChIKey is VOUCABXMRYFKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-5-12-23-18-7-6-17(15(3)16(18)4)19(22)14(2)13-21-10-8-20-9-11-21/h6-7,14,20H,5,8-13H2,1-4H3.
What are the key properties of 1-(2,3-dimethyl-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one?
1-(2,3-dimethyl-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one has a molecular weight of 318.46 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyl-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82266405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).