1-[4-(3-aminophenyl)piperazin-1-yl]-2-ethylbutan-1-one

C16H25N3O — CID 43461708

IUPAC1-[4-(3-aminophenyl)piperazin-1-yl]-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1CCN(c2cccc(N)c2)CC1
InChIInChI=1S/C16H25N3O/c1-3-13(4-2)16(20)19-10-8-18(9-11-19)15-7-5-6-14(17)12-15/h5-7,12-13H,3-4,8-11,17H2,1-2H3
InChIKeyVDIMVDGWVNQKDB-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.35
Rot. Bonds4

About 1-[4-(3-aminophenyl)piperazin-1-yl]-2-ethylbutan-1-one

1-[4-(3-aminophenyl)piperazin-1-yl]-2-ethylbutan-1-one (PubChem CID 43461708) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[4-(3-aminophenyl)piperazin-1-yl]-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-[4-(3-aminophenyl)piperazin-1-yl]-2-ethylbutan-1-one
PubChem CID43461708
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[4-(3-aminophenyl)piperazin-1-yl]-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1CCN(c2cccc(N)c2)CC1
InChIInChI=1S/C16H25N3O/c1-3-13(4-2)16(20)19-10-8-18(9-11-19)15-7-5-6-14(17)12-15/h5-7,12-13H,3-4,8-11,17H2,1-2H3
InChIKeyVDIMVDGWVNQKDB-UHFFFAOYSA-N
XLogP2.35
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 879682
1-[4-(3-amino-4-ethylphenyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 82533924
4-(3-aminophenyl)-N,N-diethylpiperazine-1-carboxamide
CID 79153554
4-(3-aminophenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 43461737
(2S)-2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119837587
2-(aminomethyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one
CID 65225836
4-(3-aminophenyl)-N-butylpiperazine-1-carboxamide
CID 43461735
4-(3-aminophenyl)-N-tert-butylpiperazine-1-carboxamide
CID 43461736
[4-(3-aminophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 43461716
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 24697448
1-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 113076702
2-[4-(3-aminophenyl)piperazin-1-yl]-N-propylpropanamide
CID 43461777

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminophenyl)piperazin-1-yl]-2-ethylbutan-1-one?
The IUPAC name of 1-[4-(3-aminophenyl)piperazin-1-yl]-2-ethylbutan-1-one (CID 43461708) is 1-[4-(3-aminophenyl)piperazin-1-yl]-2-ethylbutan-1-one.
What is the SMILES notation for 1-[4-(3-aminophenyl)piperazin-1-yl]-2-ethylbutan-1-one?
The canonical SMILES for 1-[4-(3-aminophenyl)piperazin-1-yl]-2-ethylbutan-1-one is CCC(CC)C(=O)N1CCN(c2cccc(N)c2)CC1.
What is the InChIKey of 1-[4-(3-aminophenyl)piperazin-1-yl]-2-ethylbutan-1-one?
The InChIKey is VDIMVDGWVNQKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-13(4-2)16(20)19-10-8-18(9-11-19)15-7-5-6-14(17)12-15/h5-7,12-13H,3-4,8-11,17H2,1-2H3.
What are the key properties of 1-[4-(3-aminophenyl)piperazin-1-yl]-2-ethylbutan-1-one?
1-[4-(3-aminophenyl)piperazin-1-yl]-2-ethylbutan-1-one has a molecular weight of 275.40 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminophenyl)piperazin-1-yl]-2-ethylbutan-1-one is sourced from PubChem (CID 43461708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).