1-ethyl-4-heptylpiperazine

C13H28N2 — CID 21399221

IUPAC1-ethyl-4-heptylpiperazine
SMILESCCCCCCCN1CCN(CC)CC1
InChIInChI=1S/C13H28N2/c1-3-5-6-7-8-9-15-12-10-14(4-2)11-13-15/h3-13H2,1-2H3
InChIKeyWHRRPBGNGSMUAH-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.59
Rot. Bonds7

About 1-ethyl-4-heptylpiperazine

1-ethyl-4-heptylpiperazine (PubChem CID 21399221) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-ethyl-4-heptylpiperazine.

Molecular Properties

Compound Name1-ethyl-4-heptylpiperazine
PubChem CID21399221
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-ethyl-4-heptylpiperazine
SMILESCCCCCCCN1CCN(CC)CC1
InChIInChI=1S/C13H28N2/c1-3-5-6-7-8-9-15-12-10-14(4-2)11-13-15/h3-13H2,1-2H3
InChIKeyWHRRPBGNGSMUAH-UHFFFAOYSA-N
XLogP2.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-undecylpiperazine
CID 21399231
ethane;1-ethyl-4-hexylpiperazine;methane
CID 166111980
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
1,4,7,10-tetraheptyl-1,4,7,10-tetrazacyclotridecane
CID 24824731
1-heptylazetidine
CID 134402356
5-(4-nonylpiperazin-1-yl)pentan-1-amine
CID 43253095
1-(2-bromoethyl)-4-dodecylpiperazine
CID 80675071
1-hexyl-4-iodopiperazine
CID 167297549
acetylene;1-methyl-4-octylpiperazine
CID 144712197
(4-nonylpiperazin-1-yl)methanol
CID 574800
2-(4-hexylpiperazin-1-yl)ethanamine
CID 28913883

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-heptylpiperazine?
The IUPAC name of 1-ethyl-4-heptylpiperazine (CID 21399221) is 1-ethyl-4-heptylpiperazine.
What is the SMILES notation for 1-ethyl-4-heptylpiperazine?
The canonical SMILES for 1-ethyl-4-heptylpiperazine is CCCCCCCN1CCN(CC)CC1.
What is the InChIKey of 1-ethyl-4-heptylpiperazine?
The InChIKey is WHRRPBGNGSMUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-3-5-6-7-8-9-15-12-10-14(4-2)11-13-15/h3-13H2,1-2H3.
What are the key properties of 1-ethyl-4-heptylpiperazine?
1-ethyl-4-heptylpiperazine has a molecular weight of 212.38 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-heptylpiperazine is sourced from PubChem (CID 21399221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).