1-piperazin-1-yl-2-propan-2-yloxyethanone

C9H18N2O2 — CID 10965237

IUPAC1-piperazin-1-yl-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-8(2)13-7-9(12)11-5-3-10-4-6-11/h8,10H,3-7H2,1-2H3
InChIKeyRSEUSEYEXDFLDE-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.16
Rot. Bonds3

About 1-piperazin-1-yl-2-propan-2-yloxyethanone

1-piperazin-1-yl-2-propan-2-yloxyethanone (PubChem CID 10965237) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-piperazin-1-yl-2-propan-2-yloxyethanone
PubChem CID10965237
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-piperazin-1-yl-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-8(2)13-7-9(12)11-5-3-10-4-6-11/h8,10H,3-7H2,1-2H3
InChIKeyRSEUSEYEXDFLDE-UHFFFAOYSA-N
XLogP-0.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-propan-2-yloxyethanone?
The IUPAC name of 1-piperazin-1-yl-2-propan-2-yloxyethanone (CID 10965237) is 1-piperazin-1-yl-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-piperazin-1-yl-2-propan-2-yloxyethanone?
The canonical SMILES for 1-piperazin-1-yl-2-propan-2-yloxyethanone is CC(C)OCC(=O)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-2-propan-2-yloxyethanone?
The InChIKey is RSEUSEYEXDFLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8(2)13-7-9(12)11-5-3-10-4-6-11/h8,10H,3-7H2,1-2H3.
What are the key properties of 1-piperazin-1-yl-2-propan-2-yloxyethanone?
1-piperazin-1-yl-2-propan-2-yloxyethanone has a molecular weight of 186.25 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-propan-2-yloxyethanone is sourced from PubChem (CID 10965237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).