1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one

C14H28N2O2 — CID 114228995

IUPAC1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one
SMILESCCC1CN(CCC(=O)C(C)(C)OC)CCN1C
InChIInChI=1S/C14H28N2O2/c1-6-12-11-16(10-9-15(12)4)8-7-13(17)14(2,3)18-5/h12H,6-11H2,1-5H3
InChIKeySNZKUJOIISJODE-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.40
Rot. Bonds6

About 1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one

1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one (PubChem CID 114228995) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one.

Molecular Properties

Compound Name1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one
PubChem CID114228995
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one
SMILESCCC1CN(CCC(=O)C(C)(C)OC)CCN1C
InChIInChI=1S/C14H28N2O2/c1-6-12-11-16(10-9-15(12)4)8-7-13(17)14(2,3)18-5/h12H,6-11H2,1-5H3
InChIKeySNZKUJOIISJODE-UHFFFAOYSA-N
XLogP1.40
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one?
The IUPAC name of 1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one (CID 114228995) is 1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one.
What is the SMILES notation for 1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one?
The canonical SMILES for 1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one is CCC1CN(CCC(=O)C(C)(C)OC)CCN1C.
What is the InChIKey of 1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one?
The InChIKey is SNZKUJOIISJODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-6-12-11-16(10-9-15(12)4)8-7-13(17)14(2,3)18-5/h12H,6-11H2,1-5H3.
What are the key properties of 1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one?
1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one has a molecular weight of 256.39 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one is sourced from PubChem (CID 114228995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).