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

C11H22N2O — CID 20737874

IUPAC2-methyl-1-(1-propan-2-ylpiperazin-2-yl)propan-1-one
SMILESCC(C)C(=O)C1CNCCN1C(C)C
InChIInChI=1S/C11H22N2O/c1-8(2)11(14)10-7-12-5-6-13(10)9(3)4/h8-10,12H,5-7H2,1-4H3
InChIKeyBCCUJMPOHAUWKU-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.89
Rot. Bonds3

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

2-methyl-1-(1-propan-2-ylpiperazin-2-yl)propan-1-one (PubChem CID 20737874) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-methyl-1-(1-propan-2-ylpiperazin-2-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(1-propan-2-ylpiperazin-2-yl)propan-1-one
PubChem CID20737874
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-methyl-1-(1-propan-2-ylpiperazin-2-yl)propan-1-one
SMILESCC(C)C(=O)C1CNCCN1C(C)C
InChIInChI=1S/C11H22N2O/c1-8(2)11(14)10-7-12-5-6-13(10)9(3)4/h8-10,12H,5-7H2,1-4H3
InChIKeyBCCUJMPOHAUWKU-UHFFFAOYSA-N
XLogP0.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-propan-2-ylpiperazin-2-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(1-propan-2-ylpiperazin-2-yl)propan-1-one (CID 20737874) is 2-methyl-1-(1-propan-2-ylpiperazin-2-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(1-propan-2-ylpiperazin-2-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(1-propan-2-ylpiperazin-2-yl)propan-1-one is CC(C)C(=O)C1CNCCN1C(C)C.
What is the InChIKey of 2-methyl-1-(1-propan-2-ylpiperazin-2-yl)propan-1-one?
The InChIKey is BCCUJMPOHAUWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)11(14)10-7-12-5-6-13(10)9(3)4/h8-10,12H,5-7H2,1-4H3.
What are the key properties of 2-methyl-1-(1-propan-2-ylpiperazin-2-yl)propan-1-one?
2-methyl-1-(1-propan-2-ylpiperazin-2-yl)propan-1-one has a molecular weight of 198.31 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-propan-2-ylpiperazin-2-yl)propan-1-one is sourced from PubChem (CID 20737874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).