2,2-dimethyl-4-(2-methylpentan-2-yloxy)-1-(4-propylpiperazin-1-yl)butan-1-one

C19H38N2O2 — CID 166151966

IUPAC2,2-dimethyl-4-(2-methylpentan-2-yloxy)-1-(4-propylpiperazin-1-yl)butan-1-one
SMILESCCCN1CCN(C(=O)C(C)(C)CCOC(C)(C)CCC)CC1
InChIInChI=1S/C19H38N2O2/c1-7-9-19(5,6)23-16-10-18(3,4)17(22)21-14-12-20(11-8-2)13-15-21/h7-16H2,1-6H3
InChIKeyGZYBGWBPONKPOO-UHFFFAOYSA-N
MW326.53 g/mol
LogP3.55
Rot. Bonds9

About 2,2-dimethyl-4-(2-methylpentan-2-yloxy)-1-(4-propylpiperazin-1-yl)butan-1-one

2,2-dimethyl-4-(2-methylpentan-2-yloxy)-1-(4-propylpiperazin-1-yl)butan-1-one (PubChem CID 166151966) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-methylpentan-2-yloxy)-1-(4-propylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-methylpentan-2-yloxy)-1-(4-propylpiperazin-1-yl)butan-1-one
PubChem CID166151966
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Name2,2-dimethyl-4-(2-methylpentan-2-yloxy)-1-(4-propylpiperazin-1-yl)butan-1-one
SMILESCCCN1CCN(C(=O)C(C)(C)CCOC(C)(C)CCC)CC1
InChIInChI=1S/C19H38N2O2/c1-7-9-19(5,6)23-16-10-18(3,4)17(22)21-14-12-20(11-8-2)13-15-21/h7-16H2,1-6H3
InChIKeyGZYBGWBPONKPOO-UHFFFAOYSA-N
XLogP3.55
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2,2-dimethyl-3-oxo-3-(4-propylpiperazin-1-yl)propyl] nitrate
CID 173160766
2-amino-1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpentan-1-one
CID 119838581
methyl 3-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]propanoate
CID 78918272
1-(4-propylpiperazin-1-yl)ethanone;tungsten
CID 59834183
4-propylpiperazine-1-carboxamide
CID 16792615
1-(aziridin-1-yl)-2-(4-propylpiperazin-1-yl)ethanone
CID 89072510
ethane;1-(4-propylpiperazin-1-yl)propan-1-one
CID 171788369
1-[4-(3-methoxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113073330
2-amino-1-(4-ethylpiperazin-1-yl)-2-methylpentan-1-one;dihydrochloride
CID 119826659
2-ethoxy-1-(4-propylpiperazin-1-yl)ethanone
CID 60708281
1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutan-1-one
CID 63656391
(4-propylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 43582709

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-methylpentan-2-yloxy)-1-(4-propylpiperazin-1-yl)butan-1-one?
The IUPAC name of 2,2-dimethyl-4-(2-methylpentan-2-yloxy)-1-(4-propylpiperazin-1-yl)butan-1-one (CID 166151966) is 2,2-dimethyl-4-(2-methylpentan-2-yloxy)-1-(4-propylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for 2,2-dimethyl-4-(2-methylpentan-2-yloxy)-1-(4-propylpiperazin-1-yl)butan-1-one?
The canonical SMILES for 2,2-dimethyl-4-(2-methylpentan-2-yloxy)-1-(4-propylpiperazin-1-yl)butan-1-one is CCCN1CCN(C(=O)C(C)(C)CCOC(C)(C)CCC)CC1.
What is the InChIKey of 2,2-dimethyl-4-(2-methylpentan-2-yloxy)-1-(4-propylpiperazin-1-yl)butan-1-one?
The InChIKey is GZYBGWBPONKPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-7-9-19(5,6)23-16-10-18(3,4)17(22)21-14-12-20(11-8-2)13-15-21/h7-16H2,1-6H3.
What are the key properties of 2,2-dimethyl-4-(2-methylpentan-2-yloxy)-1-(4-propylpiperazin-1-yl)butan-1-one?
2,2-dimethyl-4-(2-methylpentan-2-yloxy)-1-(4-propylpiperazin-1-yl)butan-1-one has a molecular weight of 326.53 g/mol, XLogP of 3.55, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-methylpentan-2-yloxy)-1-(4-propylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 166151966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).