ethyl 4-hexylpiperazine-1-carboxylate

C13H26N2O2 — CID 78822686

IUPACethyl 4-hexylpiperazine-1-carboxylate
SMILESCCCCCCN1CCN(C(=O)OCC)CC1
InChIInChI=1S/C13H26N2O2/c1-3-5-6-7-8-14-9-11-15(12-10-14)13(16)17-4-2/h3-12H2,1-2H3
InChIKeyUELJYSSDPBWUDX-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.34
Rot. Bonds6

About ethyl 4-hexylpiperazine-1-carboxylate

ethyl 4-hexylpiperazine-1-carboxylate (PubChem CID 78822686) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethyl 4-hexylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-hexylpiperazine-1-carboxylate
PubChem CID78822686
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameethyl 4-hexylpiperazine-1-carboxylate
SMILESCCCCCCN1CCN(C(=O)OCC)CC1
InChIInChI=1S/C13H26N2O2/c1-3-5-6-7-8-14-9-11-15(12-10-14)13(16)17-4-2/h3-12H2,1-2H3
InChIKeyUELJYSSDPBWUDX-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
ethyl 4-(5-oxohexyl)piperazine-1-carboxylate
CID 107877302
2-(diethylamino)ethyl 4-hexylpiperazine-1-carboxylate
CID 515546
4-nonylpiperazine-1-carboxamide
CID 13213299
ethyl 4-[3-(butylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 109012229
4-octylpiperazine-1-carboxylic acid
CID 22047855
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
1-octylaziridine
CID 544653
benzyl 4-pentylpiperazine-1-carboxylate
CID 20795377
ethyl 4-(3,3,3-trifluoropropyl)piperazine-1-carboxylate
CID 171145567
ethyl 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 108522953
1-(4-octylpiperazin-1-yl)butan-1-one
CID 170041976

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hexylpiperazine-1-carboxylate?
The IUPAC name of ethyl 4-hexylpiperazine-1-carboxylate (CID 78822686) is ethyl 4-hexylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-hexylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 4-hexylpiperazine-1-carboxylate is CCCCCCN1CCN(C(=O)OCC)CC1.
What is the InChIKey of ethyl 4-hexylpiperazine-1-carboxylate?
The InChIKey is UELJYSSDPBWUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-5-6-7-8-14-9-11-15(12-10-14)13(16)17-4-2/h3-12H2,1-2H3.
What are the key properties of ethyl 4-hexylpiperazine-1-carboxylate?
ethyl 4-hexylpiperazine-1-carboxylate has a molecular weight of 242.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hexylpiperazine-1-carboxylate is sourced from PubChem (CID 78822686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).