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

C14H23N3 — CID 28800635

IUPAC2-(4-tert-butylpiperazin-1-yl)aniline
SMILESCC(C)(C)N1CCN(c2ccccc2N)CC1
InChIInChI=1S/C14H23N3/c1-14(2,3)17-10-8-16(9-11-17)13-7-5-4-6-12(13)15/h4-7H,8-11,15H2,1-3H3
InChIKeyRVGVZPCHEZAJBB-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.19
Rot. Bonds1

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

2-(4-tert-butylpiperazin-1-yl)aniline (PubChem CID 28800635) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-(4-tert-butylpiperazin-1-yl)aniline.

Molecular Properties

Compound Name2-(4-tert-butylpiperazin-1-yl)aniline
PubChem CID28800635
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-(4-tert-butylpiperazin-1-yl)aniline
SMILESCC(C)(C)N1CCN(c2ccccc2N)CC1
InChIInChI=1S/C14H23N3/c1-14(2,3)17-10-8-16(9-11-17)13-7-5-4-6-12(13)15/h4-7H,8-11,15H2,1-3H3
InChIKeyRVGVZPCHEZAJBB-UHFFFAOYSA-N
XLogP2.19
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.19
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)aniline?
The IUPAC name of 2-(4-tert-butylpiperazin-1-yl)aniline (CID 28800635) is 2-(4-tert-butylpiperazin-1-yl)aniline.
What is the SMILES notation for 2-(4-tert-butylpiperazin-1-yl)aniline?
The canonical SMILES for 2-(4-tert-butylpiperazin-1-yl)aniline is CC(C)(C)N1CCN(c2ccccc2N)CC1.
What is the InChIKey of 2-(4-tert-butylpiperazin-1-yl)aniline?
The InChIKey is RVGVZPCHEZAJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-14(2,3)17-10-8-16(9-11-17)13-7-5-4-6-12(13)15/h4-7H,8-11,15H2,1-3H3.
What are the key properties of 2-(4-tert-butylpiperazin-1-yl)aniline?
2-(4-tert-butylpiperazin-1-yl)aniline has a molecular weight of 233.36 g/mol, XLogP of 2.19, 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)aniline is sourced from PubChem (CID 28800635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).