1-(3-methylbutyl)piperazine

C9H20N2 — CID 10057758

IUPAC1-(3-methylbutyl)piperazine
SMILESCC(C)CCN1CCNCC1
InChIInChI=1S/C9H20N2/c1-9(2)3-6-11-7-4-10-5-8-11/h9-10H,3-8H2,1-2H3
InChIKeyIOCDAGIYEHKJRS-UHFFFAOYSA-N
MW156.27 g/mol
LogP0.94
Rot. Bonds3

About 1-(3-methylbutyl)piperazine

1-(3-methylbutyl)piperazine (PubChem CID 10057758) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-(3-methylbutyl)piperazine.

Molecular Properties

Compound Name1-(3-methylbutyl)piperazine
PubChem CID10057758
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-(3-methylbutyl)piperazine
SMILESCC(C)CCN1CCNCC1
InChIInChI=1S/C9H20N2/c1-9(2)3-6-11-7-4-10-5-8-11/h9-10H,3-8H2,1-2H3
InChIKeyIOCDAGIYEHKJRS-UHFFFAOYSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)piperazine?
The IUPAC name of 1-(3-methylbutyl)piperazine (CID 10057758) is 1-(3-methylbutyl)piperazine.
What is the SMILES notation for 1-(3-methylbutyl)piperazine?
The canonical SMILES for 1-(3-methylbutyl)piperazine is CC(C)CCN1CCNCC1.
What is the InChIKey of 1-(3-methylbutyl)piperazine?
The InChIKey is IOCDAGIYEHKJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-9(2)3-6-11-7-4-10-5-8-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-(3-methylbutyl)piperazine?
1-(3-methylbutyl)piperazine has a molecular weight of 156.27 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)piperazine is sourced from PubChem (CID 10057758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).