1-(2-bromoethyl)-4-dodecylpiperazine

C18H37BrN2 — CID 80675071

IUPAC1-(2-bromoethyl)-4-dodecylpiperazine
SMILESCCCCCCCCCCCCN1CCN(CCBr)CC1
InChIInChI=1S/C18H37BrN2/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-21(14-12-19)18-16-20/h2-18H2,1H3
InChIKeyYANCCDMBIZCEMU-UHFFFAOYSA-N
MW361.41 g/mol
LogP4.92
Rot. Bonds13

About 1-(2-bromoethyl)-4-dodecylpiperazine

1-(2-bromoethyl)-4-dodecylpiperazine (PubChem CID 80675071) has the molecular formula C18H37BrN2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 1-(2-bromoethyl)-4-dodecylpiperazine.

Molecular Properties

Compound Name1-(2-bromoethyl)-4-dodecylpiperazine
PubChem CID80675071
Molecular FormulaC18H37BrN2
Molecular Weight361.41 g/mol
Exact Mass360.21
IUPAC Name1-(2-bromoethyl)-4-dodecylpiperazine
SMILESCCCCCCCCCCCCN1CCN(CCBr)CC1
InChIInChI=1S/C18H37BrN2/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-21(14-12-19)18-16-20/h2-18H2,1H3
InChIKeyYANCCDMBIZCEMU-UHFFFAOYSA-N
XLogP4.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromoethyl)-4-pentyl-1,4-diazepane
CID 80668234
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
acetylene;1-methyl-4-octylpiperazine
CID 144712197
ethane;1-ethyl-4-hexylpiperazine;methane
CID 166111980
1-ethyl-4-undecylpiperazine
CID 21399231
1,4,7,10-tetraheptyl-1,4,7,10-tetrazacyclotridecane
CID 24824731
ethane;1-methyl-4-pentylpiperazine
CID 145099418
1-ethyl-4-heptylpiperazine
CID 21399221
ethane;1-nonylpiperidine
CID 177011009
1-heptylazetidine
CID 134402356
5-(4-nonylpiperazin-1-yl)pentan-1-amine
CID 43253095

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-4-dodecylpiperazine?
The IUPAC name of 1-(2-bromoethyl)-4-dodecylpiperazine (CID 80675071) is 1-(2-bromoethyl)-4-dodecylpiperazine.
What is the SMILES notation for 1-(2-bromoethyl)-4-dodecylpiperazine?
The canonical SMILES for 1-(2-bromoethyl)-4-dodecylpiperazine is CCCCCCCCCCCCN1CCN(CCBr)CC1.
What is the InChIKey of 1-(2-bromoethyl)-4-dodecylpiperazine?
The InChIKey is YANCCDMBIZCEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37BrN2/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-21(14-12-19)18-16-20/h2-18H2,1H3.
What are the key properties of 1-(2-bromoethyl)-4-dodecylpiperazine?
1-(2-bromoethyl)-4-dodecylpiperazine has a molecular weight of 361.41 g/mol, XLogP of 4.92, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-4-dodecylpiperazine is sourced from PubChem (CID 80675071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).