2-(2-aminophenyl)-1-(4-tert-butylpiperazin-1-yl)ethanone

C16H25N3O — CID 61428012

IUPAC2-(2-aminophenyl)-1-(4-tert-butylpiperazin-1-yl)ethanone
SMILESCC(C)(C)N1CCN(C(=O)Cc2ccccc2N)CC1
InChIInChI=1S/C16H25N3O/c1-16(2,3)19-10-8-18(9-11-19)15(20)12-13-6-4-5-7-14(13)17/h4-7H,8-12,17H2,1-3H3
InChIKeyRWCBDOACOHLGPZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.75
Rot. Bonds2

About 2-(2-aminophenyl)-1-(4-tert-butylpiperazin-1-yl)ethanone

2-(2-aminophenyl)-1-(4-tert-butylpiperazin-1-yl)ethanone (PubChem CID 61428012) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(2-aminophenyl)-1-(4-tert-butylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-aminophenyl)-1-(4-tert-butylpiperazin-1-yl)ethanone
PubChem CID61428012
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(2-aminophenyl)-1-(4-tert-butylpiperazin-1-yl)ethanone
SMILESCC(C)(C)N1CCN(C(=O)Cc2ccccc2N)CC1
InChIInChI=1S/C16H25N3O/c1-16(2,3)19-10-8-18(9-11-19)15(20)12-13-6-4-5-7-14(13)17/h4-7H,8-12,17H2,1-3H3
InChIKeyRWCBDOACOHLGPZ-UHFFFAOYSA-N
XLogP1.75
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.75
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

2-[(4-tert-butylpiperazin-1-yl)methyl]aniline
CID 61430149
2-(2-aminophenyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 79189038
2-(2-aminophenyl)-1-(1,3-dihydroisoindol-2-yl)ethanone
CID 62204617
2-(2-aminophenyl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 63154719
3-(2-aminophenyl)-1-[4-(3,3-dimethylbutyl)piperazin-1-yl]propan-1-one
CID 120612625
2-(2-amino-1,3-thiazol-4-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone
CID 62797698
2-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-2-methylpropanenitrile
CID 60693018
2-(2-aminophenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 112623814
2-methyl-2-[4-(2-phenylacetyl)piperazin-1-yl]propanethioamide
CID 63343992
2-[2-(aminomethyl)phenyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 81318146
1-[2-(2-aminophenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317438
1-(4-tert-butylpiperazin-1-yl)ethanone
CID 20580594

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-1-(4-tert-butylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-aminophenyl)-1-(4-tert-butylpiperazin-1-yl)ethanone (CID 61428012) is 2-(2-aminophenyl)-1-(4-tert-butylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-aminophenyl)-1-(4-tert-butylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-aminophenyl)-1-(4-tert-butylpiperazin-1-yl)ethanone is CC(C)(C)N1CCN(C(=O)Cc2ccccc2N)CC1.
What is the InChIKey of 2-(2-aminophenyl)-1-(4-tert-butylpiperazin-1-yl)ethanone?
The InChIKey is RWCBDOACOHLGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(2,3)19-10-8-18(9-11-19)15(20)12-13-6-4-5-7-14(13)17/h4-7H,8-12,17H2,1-3H3.
What are the key properties of 2-(2-aminophenyl)-1-(4-tert-butylpiperazin-1-yl)ethanone?
2-(2-aminophenyl)-1-(4-tert-butylpiperazin-1-yl)ethanone has a molecular weight of 275.40 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-1-(4-tert-butylpiperazin-1-yl)ethanone is sourced from PubChem (CID 61428012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).