1-(2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-3-methylbutan-1-one

C14H28N2O — CID 82243712

IUPAC1-(2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CC(C(C)C)NCC1(C)C
InChIInChI=1S/C14H28N2O/c1-10(2)7-13(17)16-8-12(11(3)4)15-9-14(16,5)6/h10-12,15H,7-9H2,1-6H3
InChIKeyMVIICOGJAMKGKY-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.27
Rot. Bonds3

About 1-(2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-3-methylbutan-1-one

1-(2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-3-methylbutan-1-one (PubChem CID 82243712) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-3-methylbutan-1-one
PubChem CID82243712
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CC(C(C)C)NCC1(C)C
InChIInChI=1S/C14H28N2O/c1-10(2)7-13(17)16-8-12(11(3)4)15-9-14(16,5)6/h10-12,15H,7-9H2,1-6H3
InChIKeyMVIICOGJAMKGKY-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-(2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-3-methylbutan-1-one?
The IUPAC name of 1-(2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-3-methylbutan-1-one (CID 82243712) is 1-(2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-3-methylbutan-1-one?
The canonical SMILES for 1-(2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-3-methylbutan-1-one is CC(C)CC(=O)N1CC(C(C)C)NCC1(C)C.
What is the InChIKey of 1-(2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-3-methylbutan-1-one?
The InChIKey is MVIICOGJAMKGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-10(2)7-13(17)16-8-12(11(3)4)15-9-14(16,5)6/h10-12,15H,7-9H2,1-6H3.
What are the key properties of 1-(2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-3-methylbutan-1-one?
1-(2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-3-methylbutan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 82243712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).