1-(2-bromoethyl)-3-ethylpiperazine

C8H17BrN2 — CID 173202340

IUPAC1-(2-bromoethyl)-3-ethylpiperazine
SMILESCCC1CN(CCBr)CCN1
InChIInChI=1S/C8H17BrN2/c1-2-8-7-11(5-3-9)6-4-10-8/h8,10H,2-7H2,1H3
InChIKeyUUXJYFAHWRFQLK-UHFFFAOYSA-N
MW221.14 g/mol
LogP1.07
Rot. Bonds3

About 1-(2-bromoethyl)-3-ethylpiperazine

1-(2-bromoethyl)-3-ethylpiperazine (PubChem CID 173202340) has the molecular formula C8H17BrN2 and a molecular weight of 221.14 g/mol. Its IUPAC name is 1-(2-bromoethyl)-3-ethylpiperazine.

Molecular Properties

Compound Name1-(2-bromoethyl)-3-ethylpiperazine
PubChem CID173202340
Molecular FormulaC8H17BrN2
Molecular Weight221.14 g/mol
Exact Mass220.06
IUPAC Name1-(2-bromoethyl)-3-ethylpiperazine
SMILESCCC1CN(CCBr)CCN1
InChIInChI=1S/C8H17BrN2/c1-2-8-7-11(5-3-9)6-4-10-8/h8,10H,2-7H2,1H3
InChIKeyUUXJYFAHWRFQLK-UHFFFAOYSA-N
XLogP1.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1-pentylpiperazine
CID 64832988
3-ethyl-1-(3-methoxy-3-methylbutyl)piperazine
CID 103016155
3-ethyl-1-(3-methylbut-2-enyl)piperazine
CID 107901348
3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 64951925
3-ethyl-1-methylpiperazine;hydrochloride
CID 138111979
3-ethyl-1-pentyl-1,4-diazepane
CID 64869528
3-ethyl-1-octyl-1,4-diazepane
CID 64871697
3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine
CID 64952931
(3R)-1-benzyl-3-ethylpiperazine
CID 45356982
3-ethyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane
CID 64870707
1-(2-ethoxy-2-methylpropyl)-3-ethylpiperazine
CID 114944433
(4-butylpiperazin-2-yl)methanamine
CID 117026802

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-3-ethylpiperazine?
The IUPAC name of 1-(2-bromoethyl)-3-ethylpiperazine (CID 173202340) is 1-(2-bromoethyl)-3-ethylpiperazine.
What is the SMILES notation for 1-(2-bromoethyl)-3-ethylpiperazine?
The canonical SMILES for 1-(2-bromoethyl)-3-ethylpiperazine is CCC1CN(CCBr)CCN1.
What is the InChIKey of 1-(2-bromoethyl)-3-ethylpiperazine?
The InChIKey is UUXJYFAHWRFQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BrN2/c1-2-8-7-11(5-3-9)6-4-10-8/h8,10H,2-7H2,1H3.
What are the key properties of 1-(2-bromoethyl)-3-ethylpiperazine?
1-(2-bromoethyl)-3-ethylpiperazine has a molecular weight of 221.14 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-3-ethylpiperazine is sourced from PubChem (CID 173202340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).