4-methoxy-4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-3-one

C14H28N2O2 — CID 114228996

IUPAC4-methoxy-4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-3-one
SMILESCOC(C)(C)C(=O)CCN1CCN(C)C(C)(C)C1
InChIInChI=1S/C14H28N2O2/c1-13(2)11-16(10-9-15(13)5)8-7-12(17)14(3,4)18-6/h7-11H2,1-6H3
InChIKeyKGCWIEKUEWLSIB-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.40
Rot. Bonds5

About 4-methoxy-4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-3-one

4-methoxy-4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-3-one (PubChem CID 114228996) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-3-one.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-3-one
PubChem CID114228996
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-methoxy-4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-3-one
SMILESCOC(C)(C)C(=O)CCN1CCN(C)C(C)(C)C1
InChIInChI=1S/C14H28N2O2/c1-13(2)11-16(10-9-15(13)5)8-7-12(17)14(3,4)18-6/h7-11H2,1-6H3
InChIKeyKGCWIEKUEWLSIB-UHFFFAOYSA-N
XLogP1.40
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 63608884
5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-one
CID 63635156
1-piperazin-1-yl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
CID 63608644
2,2-dimethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 65254593
ethyl 2-amino-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoate
CID 63633515
2-(ethylamino)-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 63635964
1-(4-methylphenyl)-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
CID 63634955
2-(3,3,4-trimethylpiperazin-1-yl)acetaldehyde
CID 63635334
methyl 2-(cyclopropylamino)-2-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoate
CID 63635966
2-methyl-2-(propan-2-ylamino)-4-(3,3,4-trimethylpiperazin-1-yl)butanoic acid
CID 63633516
ethyl 2-amino-4-(3,3,4-trimethylpiperazin-1-yl)butanoate
CID 55215441
methyl 2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanoate
CID 63634901

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-3-one?
The IUPAC name of 4-methoxy-4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-3-one (CID 114228996) is 4-methoxy-4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-3-one.
What is the SMILES notation for 4-methoxy-4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-3-one?
The canonical SMILES for 4-methoxy-4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-3-one is COC(C)(C)C(=O)CCN1CCN(C)C(C)(C)C1.
What is the InChIKey of 4-methoxy-4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-3-one?
The InChIKey is KGCWIEKUEWLSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(2)11-16(10-9-15(13)5)8-7-12(17)14(3,4)18-6/h7-11H2,1-6H3.
What are the key properties of 4-methoxy-4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-3-one?
4-methoxy-4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-3-one has a molecular weight of 256.39 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-3-one is sourced from PubChem (CID 114228996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).