1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2,2-dimethylpropan-1-one

C14H28N2O — CID 82243727

IUPAC1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)C1CNC(C)(C)CN1C(=O)C(C)(C)C
InChIInChI=1S/C14H28N2O/c1-10(2)11-8-15-14(6,7)9-16(11)12(17)13(3,4)5/h10-11,15H,8-9H2,1-7H3
InChIKeyGQORQRGPIVSEBE-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.27
Rot. Bonds1

About 1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2,2-dimethylpropan-1-one

1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2,2-dimethylpropan-1-one (PubChem CID 82243727) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2,2-dimethylpropan-1-one
PubChem CID82243727
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)C1CNC(C)(C)CN1C(=O)C(C)(C)C
InChIInChI=1S/C14H28N2O/c1-10(2)11-8-15-14(6,7)9-16(11)12(17)13(3,4)5/h10-11,15H,8-9H2,1-7H3
InChIKeyGQORQRGPIVSEBE-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2,2-dimethylpropan-1-one (CID 82243727) is 1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2,2-dimethylpropan-1-one is CC(C)C1CNC(C)(C)CN1C(=O)C(C)(C)C.
What is the InChIKey of 1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2,2-dimethylpropan-1-one?
The InChIKey is GQORQRGPIVSEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-10(2)11-8-15-14(6,7)9-16(11)12(17)13(3,4)5/h10-11,15H,8-9H2,1-7H3.
What are the key properties of 1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2,2-dimethylpropan-1-one?
1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2,2-dimethylpropan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 82243727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).