1,4-dibutylpiperazine

C12H26N2 — CID 3791489

IUPAC1,4-dibutylpiperazine
SMILESCCCCN1CCN(CCCC)CC1
InChIInChI=1S/C12H26N2/c1-3-5-7-13-9-11-14(12-10-13)8-6-4-2/h3-12H2,1-2H3
InChIKeyGGCZTPHMPWVJEC-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.20
Rot. Bonds6

About 1,4-dibutylpiperazine

1,4-dibutylpiperazine (PubChem CID 3791489) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1,4-dibutylpiperazine.

Molecular Properties

Compound Name1,4-dibutylpiperazine
PubChem CID3791489
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1,4-dibutylpiperazine
SMILESCCCCN1CCN(CCCC)CC1
InChIInChI=1S/C12H26N2/c1-3-5-7-13-9-11-14(12-10-13)8-6-4-2/h3-12H2,1-2H3
InChIKeyGGCZTPHMPWVJEC-UHFFFAOYSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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-dibutylpiperazine?
The IUPAC name of 1,4-dibutylpiperazine (CID 3791489) is 1,4-dibutylpiperazine.
What is the SMILES notation for 1,4-dibutylpiperazine?
The canonical SMILES for 1,4-dibutylpiperazine is CCCCN1CCN(CCCC)CC1.
What is the InChIKey of 1,4-dibutylpiperazine?
The InChIKey is GGCZTPHMPWVJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-5-7-13-9-11-14(12-10-13)8-6-4-2/h3-12H2,1-2H3.
What are the key properties of 1,4-dibutylpiperazine?
1,4-dibutylpiperazine has a molecular weight of 198.35 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibutylpiperazine is sourced from PubChem (CID 3791489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).