4-[4-(3,3-dimethylbutyl)piperazin-1-yl]butan-2-one

C14H28N2O — CID 58171906

IUPAC4-[4-(3,3-dimethylbutyl)piperazin-1-yl]butan-2-one
SMILESCC(=O)CCN1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-13(17)5-7-15-9-11-16(12-10-15)8-6-14(2,3)4/h5-12H2,1-4H3
InChIKeyANHVLHNAZROGRW-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds5

About 4-[4-(3,3-dimethylbutyl)piperazin-1-yl]butan-2-one

4-[4-(3,3-dimethylbutyl)piperazin-1-yl]butan-2-one (PubChem CID 58171906) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-[4-(3,3-dimethylbutyl)piperazin-1-yl]butan-2-one.

Molecular Properties

Compound Name4-[4-(3,3-dimethylbutyl)piperazin-1-yl]butan-2-one
PubChem CID58171906
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-[4-(3,3-dimethylbutyl)piperazin-1-yl]butan-2-one
SMILESCC(=O)CCN1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-13(17)5-7-15-9-11-16(12-10-15)8-6-14(2,3)4/h5-12H2,1-4H3
InChIKeyANHVLHNAZROGRW-UHFFFAOYSA-N
XLogP2.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-Dimethyl-1-(piperidin-1-yl)pentan-3-one
CID 915111
4-(3,3-Dimethylpiperidin-1-yl)butan-2-one
CID 64063300
4,4'-(Piperazine-1,4-diyl)bis(butane-2-one)
CID 30377325
3,3'-{Ethane-1,2-diylbis[(methylazanediyl)methylene]}bis(3-methylbutan-2-one)
CID 71325645
4-[4-(2-Fluoroethyl)piperazin-1-yl]butan-2-one
CID 124174022
N,N'-bis(2-acetyl-2-methylpropyl)piperazine
CID 129713219
3,3-Dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-one
CID 62966487
4,4-Dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-3-one
CID 62968608
3,3-Dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-one
CID 66455545
1-[2-(Diethylamino)ethyl]piperidin-4-one
CID 10420281
3,3-Dimethyl-1-(4-methylpiperazin-1-yl)butan-2-one
CID 12566797
1-[2-(Dipropylamino)ethyl]piperidin-4-one
CID 18001708

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,3-dimethylbutyl)piperazin-1-yl]butan-2-one?
The IUPAC name of 4-[4-(3,3-dimethylbutyl)piperazin-1-yl]butan-2-one (CID 58171906) is 4-[4-(3,3-dimethylbutyl)piperazin-1-yl]butan-2-one.
What is the SMILES notation for 4-[4-(3,3-dimethylbutyl)piperazin-1-yl]butan-2-one?
The canonical SMILES for 4-[4-(3,3-dimethylbutyl)piperazin-1-yl]butan-2-one is CC(=O)CCN1CCN(CCC(C)(C)C)CC1.
What is the InChIKey of 4-[4-(3,3-dimethylbutyl)piperazin-1-yl]butan-2-one?
The InChIKey is ANHVLHNAZROGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-13(17)5-7-15-9-11-16(12-10-15)8-6-14(2,3)4/h5-12H2,1-4H3.
What are the key properties of 4-[4-(3,3-dimethylbutyl)piperazin-1-yl]butan-2-one?
4-[4-(3,3-dimethylbutyl)piperazin-1-yl]butan-2-one has a molecular weight of 240.39 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,3-dimethylbutyl)piperazin-1-yl]butan-2-one is sourced from PubChem (CID 58171906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).