1-[4-(2-pentan-2-yloxyethyl)piperazin-1-yl]ethanone

C13H26N2O2 — CID 129082774

IUPAC1-[4-(2-pentan-2-yloxyethyl)piperazin-1-yl]ethanone
SMILESCCCC(C)OCCN1CCN(C(C)=O)CC1
InChIInChI=1S/C13H26N2O2/c1-4-5-12(2)17-11-10-14-6-8-15(9-7-14)13(3)16/h12H,4-11H2,1-3H3
InChIKeyVFOAUMGSRDVBJB-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.36
Rot. Bonds6

About 1-[4-(2-pentan-2-yloxyethyl)piperazin-1-yl]ethanone

1-[4-(2-pentan-2-yloxyethyl)piperazin-1-yl]ethanone (PubChem CID 129082774) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-[4-(2-pentan-2-yloxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-pentan-2-yloxyethyl)piperazin-1-yl]ethanone
PubChem CID129082774
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-[4-(2-pentan-2-yloxyethyl)piperazin-1-yl]ethanone
SMILESCCCC(C)OCCN1CCN(C(C)=O)CC1
InChIInChI=1S/C13H26N2O2/c1-4-5-12(2)17-11-10-14-6-8-15(9-7-14)13(3)16/h12H,4-11H2,1-3H3
InChIKeyVFOAUMGSRDVBJB-UHFFFAOYSA-N
XLogP1.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-propylpropan-1-amine;propane;1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone
CID 169268423
1-benzyl-4-[2-[(2S)-pentan-2-yl]oxyethyl]piperazine
CID 139379312
1-[4-(7-propan-2-yloxyheptyl)piperazin-1-yl]ethanone
CID 171735482
ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 155574433
1-[4-(2-methylsulfanyloxyethyl)piperazin-1-yl]ethanone
CID 123363082
ethane;1-[4-(5-methylhexyl)piperazin-1-yl]ethanone
CID 169214701
2-(4-acetylpiperazin-1-yl)ethyl nitrate
CID 123616419
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629
1-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]ethanone
CID 78789869
1-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]ethanone
CID 59289508
ethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone
CID 178104636
1-[(1R,5S)-6-[[4-(2-propoxyethyl)piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 56912020

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-pentan-2-yloxyethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-pentan-2-yloxyethyl)piperazin-1-yl]ethanone (CID 129082774) is 1-[4-(2-pentan-2-yloxyethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-pentan-2-yloxyethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-pentan-2-yloxyethyl)piperazin-1-yl]ethanone is CCCC(C)OCCN1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-(2-pentan-2-yloxyethyl)piperazin-1-yl]ethanone?
The InChIKey is VFOAUMGSRDVBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-5-12(2)17-11-10-14-6-8-15(9-7-14)13(3)16/h12H,4-11H2,1-3H3.
What are the key properties of 1-[4-(2-pentan-2-yloxyethyl)piperazin-1-yl]ethanone?
1-[4-(2-pentan-2-yloxyethyl)piperazin-1-yl]ethanone has a molecular weight of 242.36 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-pentan-2-yloxyethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 129082774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).