1-(2-bromoethyl)-4-[2-(2-methylpropoxy)ethyl]piperazine

C12H25BrN2O — CID 106457754

IUPAC1-(2-bromoethyl)-4-[2-(2-methylpropoxy)ethyl]piperazine
SMILESCC(C)COCCN1CCN(CCBr)CC1
InChIInChI=1S/C12H25BrN2O/c1-12(2)11-16-10-9-15-7-5-14(4-3-13)6-8-15/h12H,3-11H2,1-2H3
InChIKeyDEXVWZMWTPTYNC-UHFFFAOYSA-N
MW293.25 g/mol
LogP1.67
Rot. Bonds7

About 1-(2-bromoethyl)-4-[2-(2-methylpropoxy)ethyl]piperazine

1-(2-bromoethyl)-4-[2-(2-methylpropoxy)ethyl]piperazine (PubChem CID 106457754) has the molecular formula C12H25BrN2O and a molecular weight of 293.25 g/mol. Its IUPAC name is 1-(2-bromoethyl)-4-[2-(2-methylpropoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-(2-bromoethyl)-4-[2-(2-methylpropoxy)ethyl]piperazine
PubChem CID106457754
Molecular FormulaC12H25BrN2O
Molecular Weight293.25 g/mol
Exact Mass292.12
IUPAC Name1-(2-bromoethyl)-4-[2-(2-methylpropoxy)ethyl]piperazine
SMILESCC(C)COCCN1CCN(CCBr)CC1
InChIInChI=1S/C12H25BrN2O/c1-12(2)11-16-10-9-15-7-5-14(4-3-13)6-8-15/h12H,3-11H2,1-2H3
InChIKeyDEXVWZMWTPTYNC-UHFFFAOYSA-N
XLogP1.67
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-[4-[2-(2-methylpropoxy)ethyl]piperazin-1-yl]ethanamine
CID 106450826
4-(2-bromoethoxy)-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106457800
4-bromo-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106457766
4-(1-bromoethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106838360
N,4-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperidin-4-amine
CID 106455102
4-(fluoromethyl)-4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 177032197
4-[4-[2-(2-methylpropoxy)ethyl]piperazin-1-yl]aniline
CID 106453577
1-(2-bromoethyl)-4-propan-2-ylpiperazine
CID 53415431
3-bromo-4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106457919
N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-4-yl]methyl]cyclopropanamine
CID 106453510
1-(2-bromoethyl)-4-(4-methoxybutyl)piperazine
CID 104649772
1-[2-(2-methylpropoxy)ethyl]-4-pyrrolidin-1-ylazepane
CID 122139895

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-4-[2-(2-methylpropoxy)ethyl]piperazine?
The IUPAC name of 1-(2-bromoethyl)-4-[2-(2-methylpropoxy)ethyl]piperazine (CID 106457754) is 1-(2-bromoethyl)-4-[2-(2-methylpropoxy)ethyl]piperazine.
What is the SMILES notation for 1-(2-bromoethyl)-4-[2-(2-methylpropoxy)ethyl]piperazine?
The canonical SMILES for 1-(2-bromoethyl)-4-[2-(2-methylpropoxy)ethyl]piperazine is CC(C)COCCN1CCN(CCBr)CC1.
What is the InChIKey of 1-(2-bromoethyl)-4-[2-(2-methylpropoxy)ethyl]piperazine?
The InChIKey is DEXVWZMWTPTYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25BrN2O/c1-12(2)11-16-10-9-15-7-5-14(4-3-13)6-8-15/h12H,3-11H2,1-2H3.
What are the key properties of 1-(2-bromoethyl)-4-[2-(2-methylpropoxy)ethyl]piperazine?
1-(2-bromoethyl)-4-[2-(2-methylpropoxy)ethyl]piperazine has a molecular weight of 293.25 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-4-[2-(2-methylpropoxy)ethyl]piperazine is sourced from PubChem (CID 106457754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).