1-tert-butyl-3,3,5,5-tetraethyl-2,2,4,6,6-pentamethylpiperazine

C21H44N2 — CID 59773902

IUPAC1-tert-butyl-3,3,5,5-tetraethyl-2,2,4,6,6-pentamethylpiperazine
SMILESCCC1(CC)N(C)C(CC)(CC)C(C)(C)N(C(C)(C)C)C1(C)C
InChIInChI=1S/C21H44N2/c1-13-20(14-2)18(8,9)23(17(5,6)7)19(10,11)21(15-3,16-4)22(20)12/h13-16H2,1-12H3
InChIKeyBMDUPULOMRYTJQ-UHFFFAOYSA-N
MW324.60 g/mol
LogP5.71
Rot. Bonds4

About 1-tert-butyl-3,3,5,5-tetraethyl-2,2,4,6,6-pentamethylpiperazine

1-tert-butyl-3,3,5,5-tetraethyl-2,2,4,6,6-pentamethylpiperazine (PubChem CID 59773902) has the molecular formula C21H44N2 and a molecular weight of 324.60 g/mol. Its IUPAC name is 1-tert-butyl-3,3,5,5-tetraethyl-2,2,4,6,6-pentamethylpiperazine.

Molecular Properties

Compound Name1-tert-butyl-3,3,5,5-tetraethyl-2,2,4,6,6-pentamethylpiperazine
PubChem CID59773902
Molecular FormulaC21H44N2
Molecular Weight324.60 g/mol
Exact Mass324.35
IUPAC Name1-tert-butyl-3,3,5,5-tetraethyl-2,2,4,6,6-pentamethylpiperazine
SMILESCCC1(CC)N(C)C(CC)(CC)C(C)(C)N(C(C)(C)C)C1(C)C
InChIInChI=1S/C21H44N2/c1-13-20(14-2)18(8,9)23(17(5,6)7)19(10,11)21(15-3,16-4)22(20)12/h13-16H2,1-12H3
InChIKeyBMDUPULOMRYTJQ-UHFFFAOYSA-N
XLogP5.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.60
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,3,5,5-tetraethyl-2,2,4,6,6-pentamethylpiperazine?
The IUPAC name of 1-tert-butyl-3,3,5,5-tetraethyl-2,2,4,6,6-pentamethylpiperazine (CID 59773902) is 1-tert-butyl-3,3,5,5-tetraethyl-2,2,4,6,6-pentamethylpiperazine.
What is the SMILES notation for 1-tert-butyl-3,3,5,5-tetraethyl-2,2,4,6,6-pentamethylpiperazine?
The canonical SMILES for 1-tert-butyl-3,3,5,5-tetraethyl-2,2,4,6,6-pentamethylpiperazine is CCC1(CC)N(C)C(CC)(CC)C(C)(C)N(C(C)(C)C)C1(C)C.
What is the InChIKey of 1-tert-butyl-3,3,5,5-tetraethyl-2,2,4,6,6-pentamethylpiperazine?
The InChIKey is BMDUPULOMRYTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N2/c1-13-20(14-2)18(8,9)23(17(5,6)7)19(10,11)21(15-3,16-4)22(20)12/h13-16H2,1-12H3.
What are the key properties of 1-tert-butyl-3,3,5,5-tetraethyl-2,2,4,6,6-pentamethylpiperazine?
1-tert-butyl-3,3,5,5-tetraethyl-2,2,4,6,6-pentamethylpiperazine has a molecular weight of 324.60 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,3,5,5-tetraethyl-2,2,4,6,6-pentamethylpiperazine is sourced from PubChem (CID 59773902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).