1,3-ditert-butylpiperazine

C12H26N2 — CID 58579574

IUPAC1,3-ditert-butylpiperazine
SMILESCC(C)(C)C1CN(C(C)(C)C)CCN1
InChIInChI=1S/C12H26N2/c1-11(2,3)10-9-14(8-7-13-10)12(4,5)6/h10,13H,7-9H2,1-6H3
InChIKeyQOFMYSOAQGPEHZ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.10
Rot. Bonds

About 1,3-ditert-butylpiperazine

1,3-ditert-butylpiperazine (PubChem CID 58579574) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1,3-ditert-butylpiperazine.

Molecular Properties

Compound Name1,3-ditert-butylpiperazine
PubChem CID58579574
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1,3-ditert-butylpiperazine
SMILESCC(C)(C)C1CN(C(C)(C)C)CCN1
InChIInChI=1S/C12H26N2/c1-11(2,3)10-9-14(8-7-13-10)12(4,5)6/h10,13H,7-9H2,1-6H3
InChIKeyQOFMYSOAQGPEHZ-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butylpiperazine?
The IUPAC name of 1,3-ditert-butylpiperazine (CID 58579574) is 1,3-ditert-butylpiperazine.
What is the SMILES notation for 1,3-ditert-butylpiperazine?
The canonical SMILES for 1,3-ditert-butylpiperazine is CC(C)(C)C1CN(C(C)(C)C)CCN1.
What is the InChIKey of 1,3-ditert-butylpiperazine?
The InChIKey is QOFMYSOAQGPEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-11(2,3)10-9-14(8-7-13-10)12(4,5)6/h10,13H,7-9H2,1-6H3.
What are the key properties of 1,3-ditert-butylpiperazine?
1,3-ditert-butylpiperazine has a molecular weight of 198.35 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butylpiperazine is sourced from PubChem (CID 58579574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).