3-methyl-4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one

C19H30N2O2 — CID 83933523

IUPAC3-methyl-4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one
SMILESCCCOc1ccc(C)cc1CC(C)CC(=O)N1CCNCC1
InChIInChI=1S/C19H30N2O2/c1-4-11-23-18-6-5-15(2)12-17(18)13-16(3)14-19(22)21-9-7-20-8-10-21/h5-6,12,16,20H,4,7-11,13-14H2,1-3H3
InChIKeyVZWBBCYRNRLJGZ-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.78
Rot. Bonds7

About 3-methyl-4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one

3-methyl-4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one (PubChem CID 83933523) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 3-methyl-4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name3-methyl-4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one
PubChem CID83933523
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name3-methyl-4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one
SMILESCCCOc1ccc(C)cc1CC(C)CC(=O)N1CCNCC1
InChIInChI=1S/C19H30N2O2/c1-4-11-23-18-6-5-15(2)12-17(18)13-16(3)14-19(22)21-9-7-20-8-10-21/h5-6,12,16,20H,4,7-11,13-14H2,1-3H3
InChIKeyVZWBBCYRNRLJGZ-UHFFFAOYSA-N
XLogP2.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933517
4-(2-ethoxy-5-methylphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933648
4-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 83927800
3-(2-tert-butyl-4-methylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 39306106
2-methyl-1-(5-methyl-2-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82263426
4-(5-tert-butyl-2-methylphenyl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 83935353
1-(5-methyl-2-propoxyphenyl)-2-piperazin-1-ylethanone
CID 82263418
4-(5-ethylthiophen-2-yl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 83929402
3-(5-chloro-4-methyl-2-propoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 83937750
3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402035
4-(4-chlorophenyl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 83931157
3-(4-chloro-2-methylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 55085396

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one?
The IUPAC name of 3-methyl-4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one (CID 83933523) is 3-methyl-4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one.
What is the SMILES notation for 3-methyl-4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one?
The canonical SMILES for 3-methyl-4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one is CCCOc1ccc(C)cc1CC(C)CC(=O)N1CCNCC1.
What is the InChIKey of 3-methyl-4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one?
The InChIKey is VZWBBCYRNRLJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-4-11-23-18-6-5-15(2)12-17(18)13-16(3)14-19(22)21-9-7-20-8-10-21/h5-6,12,16,20H,4,7-11,13-14H2,1-3H3.
What are the key properties of 3-methyl-4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one?
3-methyl-4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one has a molecular weight of 318.46 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 83933523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).