2-(diethylamino)ethyl 4-hexylpiperazine-1-carboxylate

C17H35N3O2 — CID 515546

IUPAC2-(diethylamino)ethyl 4-hexylpiperazine-1-carboxylate
SMILESCCCCCCN1CCN(C(=O)OCCN(CC)CC)CC1
InChIInChI=1S/C17H35N3O2/c1-4-7-8-9-10-19-11-13-20(14-12-19)17(21)22-16-15-18(5-2)6-3/h4-16H2,1-3H3
InChIKeyHZYFEBNDJBHUOO-UHFFFAOYSA-N
MW313.49 g/mol
LogP2.66
Rot. Bonds10

About 2-(diethylamino)ethyl 4-hexylpiperazine-1-carboxylate

2-(diethylamino)ethyl 4-hexylpiperazine-1-carboxylate (PubChem CID 515546) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-hexylpiperazine-1-carboxylate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 4-hexylpiperazine-1-carboxylate
PubChem CID515546
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC Name2-(diethylamino)ethyl 4-hexylpiperazine-1-carboxylate
SMILESCCCCCCN1CCN(C(=O)OCCN(CC)CC)CC1
InChIInChI=1S/C17H35N3O2/c1-4-7-8-9-10-19-11-13-20(14-12-19)17(21)22-16-15-18(5-2)6-3/h4-16H2,1-3H3
InChIKeyHZYFEBNDJBHUOO-UHFFFAOYSA-N
XLogP2.66
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-hexylpiperazine-1-carboxylate
CID 78822686
3-(diethylamino)propyl 4-methylpiperazine-1-carboxylate
CID 515576
2-(diethylamino)ethyl 4-nitrosopiperazine-1-carboxylate
CID 515555
butyl aziridine-1-carboxylate
CID 12641
4-nonylpiperazine-1-carboxamide
CID 13213299
4-octylpiperazine-1-carboxylic acid
CID 22047855
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
dodecyl 3-[3-[4-[3-[bis(3-dodecoxy-3-oxopropyl)amino]propyl]piperazin-1-yl]propyl-(3-dodecoxy-3-oxopropyl)amino]propanoate
CID 73388404
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
1-octylaziridine
CID 544653
benzyl 4-pentylpiperazine-1-carboxylate
CID 20795377
butyl 4-(2-oxoethyl)piperazine-1-carboxylate
CID 142734941

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 4-hexylpiperazine-1-carboxylate?
The IUPAC name of 2-(diethylamino)ethyl 4-hexylpiperazine-1-carboxylate (CID 515546) is 2-(diethylamino)ethyl 4-hexylpiperazine-1-carboxylate.
What is the SMILES notation for 2-(diethylamino)ethyl 4-hexylpiperazine-1-carboxylate?
The canonical SMILES for 2-(diethylamino)ethyl 4-hexylpiperazine-1-carboxylate is CCCCCCN1CCN(C(=O)OCCN(CC)CC)CC1.
What is the InChIKey of 2-(diethylamino)ethyl 4-hexylpiperazine-1-carboxylate?
The InChIKey is HZYFEBNDJBHUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-4-7-8-9-10-19-11-13-20(14-12-19)17(21)22-16-15-18(5-2)6-3/h4-16H2,1-3H3.
What are the key properties of 2-(diethylamino)ethyl 4-hexylpiperazine-1-carboxylate?
2-(diethylamino)ethyl 4-hexylpiperazine-1-carboxylate has a molecular weight of 313.49 g/mol, XLogP of 2.66, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 4-hexylpiperazine-1-carboxylate is sourced from PubChem (CID 515546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).