1,4-ditert-butylpiperazine

C12H26N2 — CID 4311526

IUPAC1,4-ditert-butylpiperazine
SMILESCC(C)(C)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H26N2/c1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h7-10H2,1-6H3
InChIKeySLRQZQPUXWCTDN-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.20
Rot. Bonds

About 1,4-ditert-butylpiperazine

1,4-ditert-butylpiperazine (PubChem CID 4311526) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1,4-ditert-butylpiperazine.

Molecular Properties

Compound Name1,4-ditert-butylpiperazine
PubChem CID4311526
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1,4-ditert-butylpiperazine
SMILESCC(C)(C)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H26N2/c1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h7-10H2,1-6H3
InChIKeySLRQZQPUXWCTDN-UHFFFAOYSA-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 ≤ 500198.35
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-butylpiperazine?
The IUPAC name of 1,4-ditert-butylpiperazine (CID 4311526) is 1,4-ditert-butylpiperazine.
What is the SMILES notation for 1,4-ditert-butylpiperazine?
The canonical SMILES for 1,4-ditert-butylpiperazine is CC(C)(C)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1,4-ditert-butylpiperazine?
The InChIKey is SLRQZQPUXWCTDN-UHFFFAOYSA-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.
What are the key properties of 1,4-ditert-butylpiperazine?
1,4-ditert-butylpiperazine has a molecular weight of 198.35 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-butylpiperazine is sourced from PubChem (CID 4311526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).