1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one

C16H24N2O — CID 120740551

IUPAC1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCNCC1c1ccc(CC)cc1
InChIInChI=1S/C16H24N2O/c1-3-5-16(19)18-11-10-17-12-15(18)14-8-6-13(4-2)7-9-14/h6-9,15,17H,3-5,10-12H2,1-2H3
InChIKeyRZMIMVKYRCNXFI-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.52
Rot. Bonds4

About 1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one

1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one (PubChem CID 120740551) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
PubChem CID120740551
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCNCC1c1ccc(CC)cc1
InChIInChI=1S/C16H24N2O/c1-3-5-16(19)18-11-10-17-12-15(18)14-8-6-13(4-2)7-9-14/h6-9,15,17H,3-5,10-12H2,1-2H3
InChIKeyRZMIMVKYRCNXFI-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(4-ethylphenyl)piperazin-1-yl]butan-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

4-[2-(4-ethylphenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide
CID 120740417
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031
5-[2-(4-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-5-oxopentanamide
CID 120740657
1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(2-methylpropoxy)propan-1-one
CID 120741375
2-butoxy-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120740942
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylsulfonylethanone
CID 120741179
2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone
CID 120741617
1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride
CID 120741414
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
CID 120740374
1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 120740910
2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120741616
N-[4-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride
CID 120741686

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one (CID 120740551) is 1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one is CCCC(=O)N1CCNCC1c1ccc(CC)cc1.
What is the InChIKey of 1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one?
The InChIKey is RZMIMVKYRCNXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-5-16(19)18-11-10-17-12-15(18)14-8-6-13(4-2)7-9-14/h6-9,15,17H,3-5,10-12H2,1-2H3.
What are the key properties of 1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one?
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 120740551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).