(4-aminophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone

C14H21N3O — CID 63603575

IUPAC(4-aminophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2ccc(N)cc2)CCN1C
InChIInChI=1S/C14H21N3O/c1-3-13-10-17(9-8-16(13)2)14(18)11-4-6-12(15)7-5-11/h4-7,13H,3,8-10,15H2,1-2H3
InChIKeyUUHRDLNMTSPKRH-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.43
Rot. Bonds2

About (4-aminophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone

(4-aminophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone (PubChem CID 63603575) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (4-aminophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
PubChem CID63603575
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(4-aminophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2ccc(N)cc2)CCN1C
InChIInChI=1S/C14H21N3O/c1-3-13-10-17(9-8-16(13)2)14(18)11-4-6-12(15)7-5-11/h4-7,13H,3,8-10,15H2,1-2H3
InChIKeyUUHRDLNMTSPKRH-UHFFFAOYSA-N
XLogP1.43
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.43
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

(4-amino-3-methoxyphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 104782923
(3-chloro-4-hydroxyphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 55218173
(3-aminothiophen-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63604493
(2-amino-3-methylphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63602925
[3-(hydroxymethyl)-4-methylpiperazin-1-yl]-[4-(hydroxymethyl)phenyl]methanone
CID 77082052
[3,5-difluoro-4-(methylamino)phenyl]-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63603059
(4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride
CID 119826621
(2,4-dibromophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 107952420
(2-bromofuran-3-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 106853961
(2-amino-5-bromo-3-pyridinyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63605142
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 66389368
(3,6-dichloro-2-pyridinyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63633965

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
The IUPAC name of (4-aminophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone (CID 63603575) is (4-aminophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone is CCC1CN(C(=O)c2ccc(N)cc2)CCN1C.
What is the InChIKey of (4-aminophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
The InChIKey is UUHRDLNMTSPKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-13-10-17(9-8-16(13)2)14(18)11-4-6-12(15)7-5-11/h4-7,13H,3,8-10,15H2,1-2H3.
What are the key properties of (4-aminophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
(4-aminophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone has a molecular weight of 247.34 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 63603575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).