1-butan-2-ylpiperazine

C8H18N2 — CID 2735696

IUPAC1-butan-2-ylpiperazine
SMILESCCC(C)N1CCNCC1
InChIInChI=1S/C8H18N2/c1-3-8(2)10-6-4-9-5-7-10/h8-9H,3-7H2,1-2H3
InChIKeyZHHCLIRTNOSAPB-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.69
Rot. Bonds2

About 1-butan-2-ylpiperazine

1-butan-2-ylpiperazine (PubChem CID 2735696) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-butan-2-ylpiperazine.

Molecular Properties

Compound Name1-butan-2-ylpiperazine
PubChem CID2735696
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-butan-2-ylpiperazine
SMILESCCC(C)N1CCNCC1
InChIInChI=1S/C8H18N2/c1-3-8(2)10-6-4-9-5-7-10/h8-9H,3-7H2,1-2H3
InChIKeyZHHCLIRTNOSAPB-UHFFFAOYSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylpiperazine?
The IUPAC name of 1-butan-2-ylpiperazine (CID 2735696) is 1-butan-2-ylpiperazine.
What is the SMILES notation for 1-butan-2-ylpiperazine?
The canonical SMILES for 1-butan-2-ylpiperazine is CCC(C)N1CCNCC1.
What is the InChIKey of 1-butan-2-ylpiperazine?
The InChIKey is ZHHCLIRTNOSAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-3-8(2)10-6-4-9-5-7-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-butan-2-ylpiperazine?
1-butan-2-ylpiperazine has a molecular weight of 142.25 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylpiperazine is sourced from PubChem (CID 2735696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).