1-(2-bromoethyl)-4-(2-phenoxyethyl)piperazine

C14H21BrN2O — CID 80674242

IUPAC1-(2-bromoethyl)-4-(2-phenoxyethyl)piperazine
SMILESBrCCN1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C14H21BrN2O/c15-6-7-16-8-10-17(11-9-16)12-13-18-14-4-2-1-3-5-14/h1-5H,6-13H2
InChIKeyCGOPPFFQTMHZCE-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.08
Rot. Bonds6

About 1-(2-bromoethyl)-4-(2-phenoxyethyl)piperazine

1-(2-bromoethyl)-4-(2-phenoxyethyl)piperazine (PubChem CID 80674242) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 1-(2-bromoethyl)-4-(2-phenoxyethyl)piperazine.

Molecular Properties

Compound Name1-(2-bromoethyl)-4-(2-phenoxyethyl)piperazine
PubChem CID80674242
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name1-(2-bromoethyl)-4-(2-phenoxyethyl)piperazine
SMILESBrCCN1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C14H21BrN2O/c15-6-7-16-8-10-17(11-9-16)12-13-18-14-4-2-1-3-5-14/h1-5H,6-13H2
InChIKeyCGOPPFFQTMHZCE-UHFFFAOYSA-N
XLogP2.08
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromoethyl)-4-(3-phenoxypropyl)-1,4-diazepane
CID 80668169
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
1-(2-chloroethyl)-4-(2-phenoxyethyl)-1,4-diazepane
CID 63387533
1-(2-phenoxyethyl)piperidin-4-one
CID 70278679
1-[4-(2-bromoethyl)piperazin-1-yl]-2-phenoxyethanone
CID 80659936
1,4-bis(7-phenoxyheptyl)piperazine;dihydrochloride
CID 155568603
1-(2-methylsulfonylethyl)-4-(2-phenoxyethyl)piperazine
CID 78792856
1-(2-phenoxyethyl)-4-(2-phenylethenyl)piperazine
CID 174650325
4-[4-(2-phenoxyethyl)piperazin-1-yl]butanoic acid
CID 119134542
1-(2-methylbut-3-yn-2-yl)-4-(2-phenoxyethyl)piperazine
CID 146141999
ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 142596800
phenyl 2-[4-(2-phenoxyethyl)piperazin-1-yl]acetate
CID 59382148

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-4-(2-phenoxyethyl)piperazine?
The IUPAC name of 1-(2-bromoethyl)-4-(2-phenoxyethyl)piperazine (CID 80674242) is 1-(2-bromoethyl)-4-(2-phenoxyethyl)piperazine.
What is the SMILES notation for 1-(2-bromoethyl)-4-(2-phenoxyethyl)piperazine?
The canonical SMILES for 1-(2-bromoethyl)-4-(2-phenoxyethyl)piperazine is BrCCN1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of 1-(2-bromoethyl)-4-(2-phenoxyethyl)piperazine?
The InChIKey is CGOPPFFQTMHZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c15-6-7-16-8-10-17(11-9-16)12-13-18-14-4-2-1-3-5-14/h1-5H,6-13H2.
What are the key properties of 1-(2-bromoethyl)-4-(2-phenoxyethyl)piperazine?
1-(2-bromoethyl)-4-(2-phenoxyethyl)piperazine has a molecular weight of 313.24 g/mol, XLogP of 2.08, 6 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-phenoxyethyl)piperazine is sourced from PubChem (CID 80674242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).