4,4-dimethyl-1-piperazin-1-ylpentan-1-one

C11H22N2O — CID 59277698

IUPAC4,4-dimethyl-1-piperazin-1-ylpentan-1-one
SMILESCC(C)(C)CCC(=O)N1CCNCC1
InChIInChI=1S/C11H22N2O/c1-11(2,3)5-4-10(14)13-8-6-12-7-9-13/h12H,4-9H2,1-3H3
InChIKeyJGNNXEOVRKNCFV-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.24
Rot. Bonds2

About 4,4-dimethyl-1-piperazin-1-ylpentan-1-one

4,4-dimethyl-1-piperazin-1-ylpentan-1-one (PubChem CID 59277698) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4,4-dimethyl-1-piperazin-1-ylpentan-1-one.

Molecular Properties

Compound Name4,4-dimethyl-1-piperazin-1-ylpentan-1-one
PubChem CID59277698
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4,4-dimethyl-1-piperazin-1-ylpentan-1-one
SMILESCC(C)(C)CCC(=O)N1CCNCC1
InChIInChI=1S/C11H22N2O/c1-11(2,3)5-4-10(14)13-8-6-12-7-9-13/h12H,4-9H2,1-3H3
InChIKeyJGNNXEOVRKNCFV-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 4,4-dimethyl-1-piperazin-1-ylpentan-1-one?
The IUPAC name of 4,4-dimethyl-1-piperazin-1-ylpentan-1-one (CID 59277698) is 4,4-dimethyl-1-piperazin-1-ylpentan-1-one.
What is the SMILES notation for 4,4-dimethyl-1-piperazin-1-ylpentan-1-one?
The canonical SMILES for 4,4-dimethyl-1-piperazin-1-ylpentan-1-one is CC(C)(C)CCC(=O)N1CCNCC1.
What is the InChIKey of 4,4-dimethyl-1-piperazin-1-ylpentan-1-one?
The InChIKey is JGNNXEOVRKNCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2,3)5-4-10(14)13-8-6-12-7-9-13/h12H,4-9H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-piperazin-1-ylpentan-1-one?
4,4-dimethyl-1-piperazin-1-ylpentan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-piperazin-1-ylpentan-1-one is sourced from PubChem (CID 59277698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).