2-propan-2-ylpiperazine

C7H16N2 — CID 558976

IUPAC2-propan-2-ylpiperazine
SMILESCC(C)C1CNCCN1
InChIInChI=1S/C7H16N2/c1-6(2)7-5-8-3-4-9-7/h6-9H,3-5H2,1-2H3
InChIKeyHBCSNWKQNPKIHK-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.20
Rot. Bonds1

About 2-propan-2-ylpiperazine

2-propan-2-ylpiperazine (PubChem CID 558976) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 2-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-propan-2-ylpiperazine
PubChem CID558976
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name2-propan-2-ylpiperazine
SMILESCC(C)C1CNCCN1
InChIInChI=1S/C7H16N2/c1-6(2)7-5-8-3-4-9-7/h6-9H,3-5H2,1-2H3
InChIKeyHBCSNWKQNPKIHK-UHFFFAOYSA-N
XLogP0.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylpiperazine?
The IUPAC name of 2-propan-2-ylpiperazine (CID 558976) is 2-propan-2-ylpiperazine.
What is the SMILES notation for 2-propan-2-ylpiperazine?
The canonical SMILES for 2-propan-2-ylpiperazine is CC(C)C1CNCCN1.
What is the InChIKey of 2-propan-2-ylpiperazine?
The InChIKey is HBCSNWKQNPKIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-6(2)7-5-8-3-4-9-7/h6-9H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-ylpiperazine?
2-propan-2-ylpiperazine has a molecular weight of 128.22 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylpiperazine is sourced from PubChem (CID 558976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).