2-(4-tert-butylpiperazin-1-yl)-4-methylaniline

C15H25N3 — CID 69043764

IUPAC2-(4-tert-butylpiperazin-1-yl)-4-methylaniline
SMILESCc1ccc(N)c(N2CCN(C(C)(C)C)CC2)c1
InChIInChI=1S/C15H25N3/c1-12-5-6-13(16)14(11-12)17-7-9-18(10-8-17)15(2,3)4/h5-6,11H,7-10,16H2,1-4H3
InChIKeyZVZKTJGVXWEJCE-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.50
Rot. Bonds1

About 2-(4-tert-butylpiperazin-1-yl)-4-methylaniline

2-(4-tert-butylpiperazin-1-yl)-4-methylaniline (PubChem CID 69043764) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-(4-tert-butylpiperazin-1-yl)-4-methylaniline.

Molecular Properties

Compound Name2-(4-tert-butylpiperazin-1-yl)-4-methylaniline
PubChem CID69043764
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-(4-tert-butylpiperazin-1-yl)-4-methylaniline
SMILESCc1ccc(N)c(N2CCN(C(C)(C)C)CC2)c1
InChIInChI=1S/C15H25N3/c1-12-5-6-13(16)14(11-12)17-7-9-18(10-8-17)15(2,3)4/h5-6,11H,7-10,16H2,1-4H3
InChIKeyZVZKTJGVXWEJCE-UHFFFAOYSA-N
XLogP2.50
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.50
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 2-(4-tert-butylpiperazin-1-yl)-4-methylaniline?
The IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-4-methylaniline (CID 69043764) is 2-(4-tert-butylpiperazin-1-yl)-4-methylaniline.
What is the SMILES notation for 2-(4-tert-butylpiperazin-1-yl)-4-methylaniline?
The canonical SMILES for 2-(4-tert-butylpiperazin-1-yl)-4-methylaniline is Cc1ccc(N)c(N2CCN(C(C)(C)C)CC2)c1.
What is the InChIKey of 2-(4-tert-butylpiperazin-1-yl)-4-methylaniline?
The InChIKey is ZVZKTJGVXWEJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12-5-6-13(16)14(11-12)17-7-9-18(10-8-17)15(2,3)4/h5-6,11H,7-10,16H2,1-4H3.
What are the key properties of 2-(4-tert-butylpiperazin-1-yl)-4-methylaniline?
2-(4-tert-butylpiperazin-1-yl)-4-methylaniline has a molecular weight of 247.39 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperazin-1-yl)-4-methylaniline is sourced from PubChem (CID 69043764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).