1,4-ditert-butyl-2,2,3,3,5,5,6,6-octatritiopiperazine

C12H26N2 — CID 118606012

IUPAC1,4-ditert-butyl-2,2,3,3,5,5,6,6-octatritiopiperazine
SMILES[3H]C1([3H])N(C(C)(C)C)C([3H])([3H])C([3H])([3H])N(C(C)(C)C)C1([3H])[3H]
InChIInChI=1S/C12H26N2/c1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h7-10H2,1-6H3/i7T2,8T2,9T2,10T2
InChIKeySLRQZQPUXWCTDN-GKYVMOHGSA-N
MW214.42 g/mol
LogP2.20
Rot. Bonds

About 1,4-ditert-butyl-2,2,3,3,5,5,6,6-octatritiopiperazine

1,4-ditert-butyl-2,2,3,3,5,5,6,6-octatritiopiperazine (PubChem CID 118606012) has the molecular formula C12H26N2 and a molecular weight of 214.42 g/mol. Its IUPAC name is 1,4-ditert-butyl-2,2,3,3,5,5,6,6-octatritiopiperazine.

Molecular Properties

Compound Name1,4-ditert-butyl-2,2,3,3,5,5,6,6-octatritiopiperazine
PubChem CID118606012
Molecular FormulaC12H26N2
Molecular Weight214.42 g/mol
Exact Mass214.28
IUPAC Name1,4-ditert-butyl-2,2,3,3,5,5,6,6-octatritiopiperazine
SMILES[3H]C1([3H])N(C(C)(C)C)C([3H])([3H])C([3H])([3H])N(C(C)(C)C)C1([3H])[3H]
InChIInChI=1S/C12H26N2/c1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h7-10H2,1-6H3/i7T2,8T2,9T2,10T2
InChIKeySLRQZQPUXWCTDN-GKYVMOHGSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.42
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butyl-2,2,3,3,5,5,6,6-octatritiopiperazine?
The IUPAC name of 1,4-ditert-butyl-2,2,3,3,5,5,6,6-octatritiopiperazine (CID 118606012) is 1,4-ditert-butyl-2,2,3,3,5,5,6,6-octatritiopiperazine.
What is the SMILES notation for 1,4-ditert-butyl-2,2,3,3,5,5,6,6-octatritiopiperazine?
The canonical SMILES for 1,4-ditert-butyl-2,2,3,3,5,5,6,6-octatritiopiperazine is [3H]C1([3H])N(C(C)(C)C)C([3H])([3H])C([3H])([3H])N(C(C)(C)C)C1([3H])[3H].
What is the InChIKey of 1,4-ditert-butyl-2,2,3,3,5,5,6,6-octatritiopiperazine?
The InChIKey is SLRQZQPUXWCTDN-GKYVMOHGSA-N. The full InChI is InChI=1S/C12H26N2/c1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h7-10H2,1-6H3/i7T2,8T2,9T2,10T2.
What are the key properties of 1,4-ditert-butyl-2,2,3,3,5,5,6,6-octatritiopiperazine?
1,4-ditert-butyl-2,2,3,3,5,5,6,6-octatritiopiperazine has a molecular weight of 214.42 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butyl-2,2,3,3,5,5,6,6-octatritiopiperazine is sourced from PubChem (CID 118606012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).