1-ethyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine

C13H28N2O — CID 171447106

IUPAC1-ethyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine
SMILESCCN1CCN(CCCOC(C)(C)C)CC1
InChIInChI=1S/C13H28N2O/c1-5-14-8-10-15(11-9-14)7-6-12-16-13(2,3)4/h5-12H2,1-4H3
InChIKeyZYRFVNUZAPVZRH-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.83
Rot. Bonds5

About 1-ethyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine

1-ethyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine (PubChem CID 171447106) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-ethyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine
PubChem CID171447106
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-ethyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine
SMILESCCN1CCN(CCCOC(C)(C)C)CC1
InChIInChI=1S/C13H28N2O/c1-5-14-8-10-15(11-9-14)7-6-12-16-13(2,3)4/h5-12H2,1-4H3
InChIKeyZYRFVNUZAPVZRH-UHFFFAOYSA-N
XLogP1.83
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-ethyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-propan-2-ylpiperazine
CID 155296815
1-[4-[(2-methylpropan-2-yl)oxy]butyl]pyrrolidine
CID 89027797
1-(4,4-dimethylpentyl)-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine
CID 134488975
7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-7-azaspiro[3.5]nonane
CID 176757500
(3R)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-ol
CID 59334347
1-ethyl-4-[(4S)-4-(2-methoxyethyl)-6,6-dimethylheptyl]piperazine
CID 118887695
1-tert-butyl-4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine
CID 171446821
1-tert-butyl-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]piperazine
CID 135167668
1-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine
CID 134488979
1-ethyl-4-undecylpiperazine
CID 21399231
1-ethyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 142139915
1-ethyl-4-heptylpiperazine
CID 21399221

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine?
The IUPAC name of 1-ethyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine (CID 171447106) is 1-ethyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine?
The canonical SMILES for 1-ethyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine is CCN1CCN(CCCOC(C)(C)C)CC1.
What is the InChIKey of 1-ethyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine?
The InChIKey is ZYRFVNUZAPVZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-14-8-10-15(11-9-14)7-6-12-16-13(2,3)4/h5-12H2,1-4H3.
What are the key properties of 1-ethyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine?
1-ethyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine has a molecular weight of 228.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine is sourced from PubChem (CID 171447106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).