1-cyclopropyl-3-methyl-3-piperazin-1-ylbutan-2-one

C12H22N2O — CID 116599296

IUPAC1-cyclopropyl-3-methyl-3-piperazin-1-ylbutan-2-one
SMILESCC(C)(C(=O)CC1CC1)N1CCNCC1
InChIInChI=1S/C12H22N2O/c1-12(2,11(15)9-10-3-4-10)14-7-5-13-6-8-14/h10,13H,3-9H2,1-2H3
InChIKeyHVEXKBHZHOXICA-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.04
Rot. Bonds4

About 1-cyclopropyl-3-methyl-3-piperazin-1-ylbutan-2-one

1-cyclopropyl-3-methyl-3-piperazin-1-ylbutan-2-one (PubChem CID 116599296) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-cyclopropyl-3-methyl-3-piperazin-1-ylbutan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-methyl-3-piperazin-1-ylbutan-2-one
PubChem CID116599296
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-cyclopropyl-3-methyl-3-piperazin-1-ylbutan-2-one
SMILESCC(C)(C(=O)CC1CC1)N1CCNCC1
InChIInChI=1S/C12H22N2O/c1-12(2,11(15)9-10-3-4-10)14-7-5-13-6-8-14/h10,13H,3-9H2,1-2H3
InChIKeyHVEXKBHZHOXICA-UHFFFAOYSA-N
XLogP1.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-methyl-3-piperazin-1-ylbutan-2-one?
The IUPAC name of 1-cyclopropyl-3-methyl-3-piperazin-1-ylbutan-2-one (CID 116599296) is 1-cyclopropyl-3-methyl-3-piperazin-1-ylbutan-2-one.
What is the SMILES notation for 1-cyclopropyl-3-methyl-3-piperazin-1-ylbutan-2-one?
The canonical SMILES for 1-cyclopropyl-3-methyl-3-piperazin-1-ylbutan-2-one is CC(C)(C(=O)CC1CC1)N1CCNCC1.
What is the InChIKey of 1-cyclopropyl-3-methyl-3-piperazin-1-ylbutan-2-one?
The InChIKey is HVEXKBHZHOXICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(2,11(15)9-10-3-4-10)14-7-5-13-6-8-14/h10,13H,3-9H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-methyl-3-piperazin-1-ylbutan-2-one?
1-cyclopropyl-3-methyl-3-piperazin-1-ylbutan-2-one has a molecular weight of 210.32 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methyl-3-piperazin-1-ylbutan-2-one is sourced from PubChem (CID 116599296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).