1-(4-tert-butylphenyl)-2,5,5-trimethylpiperazine

C17H28N2 — CID 64930174

IUPAC1-(4-tert-butylphenyl)-2,5,5-trimethylpiperazine
SMILESCC1CNC(C)(C)CN1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H28N2/c1-13-11-18-17(5,6)12-19(13)15-9-7-14(8-10-15)16(2,3)4/h7-10,13,18H,11-12H2,1-6H3
InChIKeyNCNNUTIEDQZYOK-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.56
Rot. Bonds1

About 1-(4-tert-butylphenyl)-2,5,5-trimethylpiperazine

1-(4-tert-butylphenyl)-2,5,5-trimethylpiperazine (PubChem CID 64930174) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2,5,5-trimethylpiperazine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2,5,5-trimethylpiperazine
PubChem CID64930174
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(4-tert-butylphenyl)-2,5,5-trimethylpiperazine
SMILESCC1CNC(C)(C)CN1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H28N2/c1-13-11-18-17(5,6)12-19(13)15-9-7-14(8-10-15)16(2,3)4/h7-10,13,18H,11-12H2,1-6H3
InChIKeyNCNNUTIEDQZYOK-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2,5,5-trimethylpiperazine?
The IUPAC name of 1-(4-tert-butylphenyl)-2,5,5-trimethylpiperazine (CID 64930174) is 1-(4-tert-butylphenyl)-2,5,5-trimethylpiperazine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2,5,5-trimethylpiperazine?
The canonical SMILES for 1-(4-tert-butylphenyl)-2,5,5-trimethylpiperazine is CC1CNC(C)(C)CN1c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2,5,5-trimethylpiperazine?
The InChIKey is NCNNUTIEDQZYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-11-18-17(5,6)12-19(13)15-9-7-14(8-10-15)16(2,3)4/h7-10,13,18H,11-12H2,1-6H3.
What are the key properties of 1-(4-tert-butylphenyl)-2,5,5-trimethylpiperazine?
1-(4-tert-butylphenyl)-2,5,5-trimethylpiperazine has a molecular weight of 260.43 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2,5,5-trimethylpiperazine is sourced from PubChem (CID 64930174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).