(4-aminophenyl)-(2,4,6-trimethylpiperazin-1-yl)methanone

C14H21N3O — CID 123609497

IUPAC(4-aminophenyl)-(2,4,6-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C)CC(C)N1C(=O)c1ccc(N)cc1
InChIInChI=1S/C14H21N3O/c1-10-8-16(3)9-11(2)17(10)14(18)12-4-6-13(15)7-5-12/h4-7,10-11H,8-9,15H2,1-3H3
InChIKeyDFKMGGYQOKMFPI-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.43
Rot. Bonds1

About (4-aminophenyl)-(2,4,6-trimethylpiperazin-1-yl)methanone

(4-aminophenyl)-(2,4,6-trimethylpiperazin-1-yl)methanone (PubChem CID 123609497) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (4-aminophenyl)-(2,4,6-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(2,4,6-trimethylpiperazin-1-yl)methanone
PubChem CID123609497
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(4-aminophenyl)-(2,4,6-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C)CC(C)N1C(=O)c1ccc(N)cc1
InChIInChI=1S/C14H21N3O/c1-10-8-16(3)9-11(2)17(10)14(18)12-4-6-13(15)7-5-12/h4-7,10-11H,8-9,15H2,1-3H3
InChIKeyDFKMGGYQOKMFPI-UHFFFAOYSA-N
XLogP1.43
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(2,4,6-trimethylpiperazin-1-yl)methanone?
The IUPAC name of (4-aminophenyl)-(2,4,6-trimethylpiperazin-1-yl)methanone (CID 123609497) is (4-aminophenyl)-(2,4,6-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(2,4,6-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(2,4,6-trimethylpiperazin-1-yl)methanone is CC1CN(C)CC(C)N1C(=O)c1ccc(N)cc1.
What is the InChIKey of (4-aminophenyl)-(2,4,6-trimethylpiperazin-1-yl)methanone?
The InChIKey is DFKMGGYQOKMFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-8-16(3)9-11(2)17(10)14(18)12-4-6-13(15)7-5-12/h4-7,10-11H,8-9,15H2,1-3H3.
What are the key properties of (4-aminophenyl)-(2,4,6-trimethylpiperazin-1-yl)methanone?
(4-aminophenyl)-(2,4,6-trimethylpiperazin-1-yl)methanone has a molecular weight of 247.34 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(2,4,6-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 123609497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).