2,2-dimethyl-1-piperazin-1-ylpropan-1-one

C9H18N2O — CID 2761408

IUPAC2,2-dimethyl-1-piperazin-1-ylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCNCC1
InChIInChI=1S/C9H18N2O/c1-9(2,3)8(12)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3
InChIKeyFPXOBQQMHSMJMN-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.46
Rot. Bonds

About 2,2-dimethyl-1-piperazin-1-ylpropan-1-one

2,2-dimethyl-1-piperazin-1-ylpropan-1-one (PubChem CID 2761408) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2,2-dimethyl-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-piperazin-1-ylpropan-1-one
PubChem CID2761408
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2,2-dimethyl-1-piperazin-1-ylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCNCC1
InChIInChI=1S/C9H18N2O/c1-9(2,3)8(12)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3
InChIKeyFPXOBQQMHSMJMN-UHFFFAOYSA-N
XLogP0.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2,2-dimethyl-1-piperazin-1-ylpropan-1-one (CID 2761408) is 2,2-dimethyl-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2,2-dimethyl-1-piperazin-1-ylpropan-1-one is CC(C)(C)C(=O)N1CCNCC1.
What is the InChIKey of 2,2-dimethyl-1-piperazin-1-ylpropan-1-one?
The InChIKey is FPXOBQQMHSMJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(2,3)8(12)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-piperazin-1-ylpropan-1-one?
2,2-dimethyl-1-piperazin-1-ylpropan-1-one has a molecular weight of 170.26 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 2761408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).