4-(4-methylphenyl)-1-piperazin-1-ylbutan-1-one

C15H22N2O — CID 82086276

IUPAC4-(4-methylphenyl)-1-piperazin-1-ylbutan-1-one
SMILESCc1ccc(CCCC(=O)N2CCNCC2)cc1
InChIInChI=1S/C15H22N2O/c1-13-5-7-14(8-6-13)3-2-4-15(18)17-11-9-16-10-12-17/h5-8,16H,2-4,9-12H2,1H3
InChIKeyBXZABNWWFGEZJT-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.75
Rot. Bonds4

About 4-(4-methylphenyl)-1-piperazin-1-ylbutan-1-one

4-(4-methylphenyl)-1-piperazin-1-ylbutan-1-one (PubChem CID 82086276) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-(4-methylphenyl)-1-piperazin-1-ylbutan-1-one
PubChem CID82086276
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-(4-methylphenyl)-1-piperazin-1-ylbutan-1-one
SMILESCc1ccc(CCCC(=O)N2CCNCC2)cc1
InChIInChI=1S/C15H22N2O/c1-13-5-7-14(8-6-13)3-2-4-15(18)17-11-9-16-10-12-17/h5-8,16H,2-4,9-12H2,1H3
InChIKeyBXZABNWWFGEZJT-UHFFFAOYSA-N
XLogP1.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-oxo-4-piperazin-1-ylbutyl)benzonitrile
CID 83927436
1-(1,4-diazepan-1-yl)-4-(4-fluorophenyl)butan-1-one
CID 82091540
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
1-piperazin-1-yl-4-(4-propylsulfanylphenyl)butan-1-one
CID 83935718
4-(4-methylphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39257144
4-(3,4-dichlorophenyl)-1-piperazin-1-ylbutan-1-one
CID 83931253
4-(4-pentoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83932566
2-(4-butylphenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119403589
3-(4-methylphenyl)-1-[(3S)-3-methylpiperazin-1-yl]propan-1-one
CID 81426214
N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide
CID 82086575
4-[5-(4-methylphenyl)pentanoyl]-1,4-diazepane-1-carboxamide
CID 56826505
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-(4-methylphenyl)butan-1-one
CID 119647608

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1-piperazin-1-ylbutan-1-one?
The IUPAC name of 4-(4-methylphenyl)-1-piperazin-1-ylbutan-1-one (CID 82086276) is 4-(4-methylphenyl)-1-piperazin-1-ylbutan-1-one.
What is the SMILES notation for 4-(4-methylphenyl)-1-piperazin-1-ylbutan-1-one?
The canonical SMILES for 4-(4-methylphenyl)-1-piperazin-1-ylbutan-1-one is Cc1ccc(CCCC(=O)N2CCNCC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1-piperazin-1-ylbutan-1-one?
The InChIKey is BXZABNWWFGEZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-13-5-7-14(8-6-13)3-2-4-15(18)17-11-9-16-10-12-17/h5-8,16H,2-4,9-12H2,1H3.
What are the key properties of 4-(4-methylphenyl)-1-piperazin-1-ylbutan-1-one?
4-(4-methylphenyl)-1-piperazin-1-ylbutan-1-one has a molecular weight of 246.35 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 82086276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).