4-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylaniline

C18H31N3 — CID 64933884

IUPAC4-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylaniline
SMILESCCC1CNC(C(C)(C)C)CN1c1ccc(N(C)C)cc1
InChIInChI=1S/C18H31N3/c1-7-14-12-19-17(18(2,3)4)13-21(14)16-10-8-15(9-11-16)20(5)6/h8-11,14,17,19H,7,12-13H2,1-6H3
InChIKeyKQBJSVSPUYSAMI-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.36
Rot. Bonds3

About 4-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylaniline

4-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylaniline (PubChem CID 64933884) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 4-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylaniline
PubChem CID64933884
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name4-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylaniline
SMILESCCC1CNC(C(C)(C)C)CN1c1ccc(N(C)C)cc1
InChIInChI=1S/C18H31N3/c1-7-14-12-19-17(18(2,3)4)13-21(14)16-10-8-15(9-11-16)20(5)6/h8-11,14,17,19H,7,12-13H2,1-6H3
InChIKeyKQBJSVSPUYSAMI-UHFFFAOYSA-N
XLogP3.36
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylaniline (CID 64933884) is 4-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylaniline is CCC1CNC(C(C)(C)C)CN1c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylaniline?
The InChIKey is KQBJSVSPUYSAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-7-14-12-19-17(18(2,3)4)13-21(14)16-10-8-15(9-11-16)20(5)6/h8-11,14,17,19H,7,12-13H2,1-6H3.
What are the key properties of 4-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylaniline?
4-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylaniline has a molecular weight of 289.47 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylaniline is sourced from PubChem (CID 64933884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).