1-(4-butan-2-ylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one

C15H30N2O2 — CID 114228991

IUPAC1-(4-butan-2-ylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one
SMILESCCC(C)N1CCN(CCC(=O)C(C)(C)OC)CC1
InChIInChI=1S/C15H30N2O2/c1-6-13(2)17-11-9-16(10-12-17)8-7-14(18)15(3,4)19-5/h13H,6-12H2,1-5H3
InChIKeyDEADAISXRXWWGB-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.79
Rot. Bonds7

About 1-(4-butan-2-ylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one

1-(4-butan-2-ylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one (PubChem CID 114228991) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(4-butan-2-ylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one.

Molecular Properties

Compound Name1-(4-butan-2-ylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one
PubChem CID114228991
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-(4-butan-2-ylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one
SMILESCCC(C)N1CCN(CCC(=O)C(C)(C)OC)CC1
InChIInChI=1S/C15H30N2O2/c1-6-13(2)17-11-9-16(10-12-17)8-7-14(18)15(3,4)19-5/h13H,6-12H2,1-5H3
InChIKeyDEADAISXRXWWGB-UHFFFAOYSA-N
XLogP1.79
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-Aminobutoxy)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one
CID 130204264
1-[Cyclohexyl(ethyl)amino]-4-methoxy-4-methylpentan-3-one
CID 114228948
1-[4-(Dimethylamino)piperidin-1-yl]-4-methoxy-4-methylpentan-3-one
CID 114228955
4-Methoxy-4-methyl-1-(4-propylpiperidin-1-yl)pentan-3-one
CID 114228958
1-[2-(Dimethylamino)ethyl-(2-methylpropyl)amino]-4-methoxy-4-methylpentan-3-one
CID 114228961
1-(4-Cyclopropylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one
CID 114228988
1-[Butan-2-yl(butyl)amino]-4-methoxy-4-methylpentan-3-one
CID 114228990
1-(4-Ethyl-4-methylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-one
CID 114228993
4-Methoxy-4-methyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]pentan-3-one
CID 114228994
1-(3-Ethyl-4-methylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one
CID 114228995
4-Methoxy-4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-3-one
CID 114228996
1-[(1-Ethylpyrrolidin-2-yl)methyl-methylamino]-4-methoxy-4-methylpentan-3-one
CID 114229004

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one?
The IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one (CID 114228991) is 1-(4-butan-2-ylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one.
What is the SMILES notation for 1-(4-butan-2-ylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one?
The canonical SMILES for 1-(4-butan-2-ylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one is CCC(C)N1CCN(CCC(=O)C(C)(C)OC)CC1.
What is the InChIKey of 1-(4-butan-2-ylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one?
The InChIKey is DEADAISXRXWWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-6-13(2)17-11-9-16(10-12-17)8-7-14(18)15(3,4)19-5/h13H,6-12H2,1-5H3.
What are the key properties of 1-(4-butan-2-ylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one?
1-(4-butan-2-ylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one has a molecular weight of 270.42 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one is sourced from PubChem (CID 114228991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).