1-(2-propan-2-ylpiperazin-1-yl)butan-1-one

C11H22N2O — CID 82241181

IUPAC1-(2-propan-2-ylpiperazin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCNCC1C(C)C
InChIInChI=1S/C11H22N2O/c1-4-5-11(14)13-7-6-12-8-10(13)9(2)3/h9-10,12H,4-8H2,1-3H3
InChIKeyMJMVLLSTZXVKRZ-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.24
Rot. Bonds3

About 1-(2-propan-2-ylpiperazin-1-yl)butan-1-one

1-(2-propan-2-ylpiperazin-1-yl)butan-1-one (PubChem CID 82241181) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(2-propan-2-ylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(2-propan-2-ylpiperazin-1-yl)butan-1-one
PubChem CID82241181
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(2-propan-2-ylpiperazin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCNCC1C(C)C
InChIInChI=1S/C11H22N2O/c1-4-5-11(14)13-7-6-12-8-10(13)9(2)3/h9-10,12H,4-8H2,1-3H3
InChIKeyMJMVLLSTZXVKRZ-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylpiperazin-1-yl)butan-1-one?
The IUPAC name of 1-(2-propan-2-ylpiperazin-1-yl)butan-1-one (CID 82241181) is 1-(2-propan-2-ylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for 1-(2-propan-2-ylpiperazin-1-yl)butan-1-one?
The canonical SMILES for 1-(2-propan-2-ylpiperazin-1-yl)butan-1-one is CCCC(=O)N1CCNCC1C(C)C.
What is the InChIKey of 1-(2-propan-2-ylpiperazin-1-yl)butan-1-one?
The InChIKey is MJMVLLSTZXVKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-5-11(14)13-7-6-12-8-10(13)9(2)3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 1-(2-propan-2-ylpiperazin-1-yl)butan-1-one?
1-(2-propan-2-ylpiperazin-1-yl)butan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 82241181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).