2-(4-butylphenyl)-1-piperazin-1-ylethanone;hydrochloride

C16H25ClN2O — CID 119403589

IUPAC2-(4-butylphenyl)-1-piperazin-1-ylethanone;hydrochloride
SMILESCCCCc1ccc(CC(=O)N2CCNCC2)cc1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-2-3-4-14-5-7-15(8-6-14)13-16(19)18-11-9-17-10-12-18;/h5-8,17H,2-4,9-13H2,1H3;1H
InChIKeyHAIDKQFQZLIIDK-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.43
Rot. Bonds5

About 2-(4-butylphenyl)-1-piperazin-1-ylethanone;hydrochloride

2-(4-butylphenyl)-1-piperazin-1-ylethanone;hydrochloride (PubChem CID 119403589) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-(4-butylphenyl)-1-piperazin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-butylphenyl)-1-piperazin-1-ylethanone;hydrochloride
PubChem CID119403589
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-(4-butylphenyl)-1-piperazin-1-ylethanone;hydrochloride
SMILESCCCCc1ccc(CC(=O)N2CCNCC2)cc1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-2-3-4-14-5-7-15(8-6-14)13-16(19)18-11-9-17-10-12-18;/h5-8,17H,2-4,9-13H2,1H3;1H
InChIKeyHAIDKQFQZLIIDK-UHFFFAOYSA-N
XLogP2.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-butylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43393419
4-(4-pentoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83932566
4-(4-methylphenyl)-1-piperazin-1-ylbutan-1-one
CID 82086276
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(4-butylphenyl)ethanone
CID 120657773
2-(4-butylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119394251
1-piperazin-1-yl-4-(4-propylsulfanylphenyl)butan-1-one
CID 83935718
2-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylethanone
CID 82132922
1-(3-aminopiperidin-1-yl)-2-(4-butylphenyl)ethanone;hydrochloride
CID 119381458
N-[1-[2-(4-butylphenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46443319
2-(4-bromophenyl)-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 119416494
2-(4-nitrophenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119402554
1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]pentan-1-one
CID 110797192

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-1-piperazin-1-ylethanone;hydrochloride?
The IUPAC name of 2-(4-butylphenyl)-1-piperazin-1-ylethanone;hydrochloride (CID 119403589) is 2-(4-butylphenyl)-1-piperazin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-(4-butylphenyl)-1-piperazin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-(4-butylphenyl)-1-piperazin-1-ylethanone;hydrochloride is CCCCc1ccc(CC(=O)N2CCNCC2)cc1.Cl.
What is the InChIKey of 2-(4-butylphenyl)-1-piperazin-1-ylethanone;hydrochloride?
The InChIKey is HAIDKQFQZLIIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-2-3-4-14-5-7-15(8-6-14)13-16(19)18-11-9-17-10-12-18;/h5-8,17H,2-4,9-13H2,1H3;1H.
What are the key properties of 2-(4-butylphenyl)-1-piperazin-1-ylethanone;hydrochloride?
2-(4-butylphenyl)-1-piperazin-1-ylethanone;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-1-piperazin-1-ylethanone;hydrochloride is sourced from PubChem (CID 119403589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).