1-butyl-4-tert-butylpiperazine

C12H26N2 — CID 21061555

IUPAC1-butyl-4-tert-butylpiperazine
SMILESCCCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H26N2/c1-5-6-7-13-8-10-14(11-9-13)12(2,3)4/h5-11H2,1-4H3
InChIKeyKLKCLDCGEHKMAD-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.20
Rot. Bonds3

About 1-butyl-4-tert-butylpiperazine

1-butyl-4-tert-butylpiperazine (PubChem CID 21061555) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-butyl-4-tert-butylpiperazine.

Molecular Properties

Compound Name1-butyl-4-tert-butylpiperazine
PubChem CID21061555
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-butyl-4-tert-butylpiperazine
SMILESCCCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H26N2/c1-5-6-7-13-8-10-14(11-9-13)12(2,3)4/h5-11H2,1-4H3
InChIKeyKLKCLDCGEHKMAD-UHFFFAOYSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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-butyl-4-tert-butylpiperazine?
The IUPAC name of 1-butyl-4-tert-butylpiperazine (CID 21061555) is 1-butyl-4-tert-butylpiperazine.
What is the SMILES notation for 1-butyl-4-tert-butylpiperazine?
The canonical SMILES for 1-butyl-4-tert-butylpiperazine is CCCCN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-butyl-4-tert-butylpiperazine?
The InChIKey is KLKCLDCGEHKMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-6-7-13-8-10-14(11-9-13)12(2,3)4/h5-11H2,1-4H3.
What are the key properties of 1-butyl-4-tert-butylpiperazine?
1-butyl-4-tert-butylpiperazine has a molecular weight of 198.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-tert-butylpiperazine is sourced from PubChem (CID 21061555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).