2-methyl-2-piperazin-1-yl-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one

C15H29N3O2 — CID 80549965

IUPAC2-methyl-2-piperazin-1-yl-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)(C)N2CCNCC2)CC(C)(C)O1
InChIInChI=1S/C15H29N3O2/c1-12-10-17(11-14(2,3)20-12)13(19)15(4,5)18-8-6-16-7-9-18/h12,16H,6-11H2,1-5H3
InChIKeyBNWDJGZDDCNDTK-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.70
Rot. Bonds2

About 2-methyl-2-piperazin-1-yl-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one

2-methyl-2-piperazin-1-yl-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one (PubChem CID 80549965) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-methyl-2-piperazin-1-yl-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-2-piperazin-1-yl-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one
PubChem CID80549965
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name2-methyl-2-piperazin-1-yl-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)(C)N2CCNCC2)CC(C)(C)O1
InChIInChI=1S/C15H29N3O2/c1-12-10-17(11-14(2,3)20-12)13(19)15(4,5)18-8-6-16-7-9-18/h12,16H,6-11H2,1-5H3
InChIKeyBNWDJGZDDCNDTK-UHFFFAOYSA-N
XLogP0.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperazin-1-yl-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 2-methyl-2-piperazin-1-yl-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one (CID 80549965) is 2-methyl-2-piperazin-1-yl-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 2-methyl-2-piperazin-1-yl-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 2-methyl-2-piperazin-1-yl-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one is CC1CN(C(=O)C(C)(C)N2CCNCC2)CC(C)(C)O1.
What is the InChIKey of 2-methyl-2-piperazin-1-yl-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one?
The InChIKey is BNWDJGZDDCNDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-12-10-17(11-14(2,3)20-12)13(19)15(4,5)18-8-6-16-7-9-18/h12,16H,6-11H2,1-5H3.
What are the key properties of 2-methyl-2-piperazin-1-yl-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one?
2-methyl-2-piperazin-1-yl-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one has a molecular weight of 283.42 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperazin-1-yl-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 80549965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).