1-(2-bromoethyl)-4-[(2-fluorophenyl)methyl]piperazine

C13H18BrFN2 — CID 80674131

IUPAC1-(2-bromoethyl)-4-[(2-fluorophenyl)methyl]piperazine
SMILESFc1ccccc1CN1CCN(CCBr)CC1
InChIInChI=1S/C13H18BrFN2/c14-5-6-16-7-9-17(10-8-16)11-12-3-1-2-4-13(12)15/h1-4H,5-11H2
InChIKeyOQMHNFBIPPOOGM-UHFFFAOYSA-N
MW301.20 g/mol
LogP2.34
Rot. Bonds4

About 1-(2-bromoethyl)-4-[(2-fluorophenyl)methyl]piperazine

1-(2-bromoethyl)-4-[(2-fluorophenyl)methyl]piperazine (PubChem CID 80674131) has the molecular formula C13H18BrFN2 and a molecular weight of 301.20 g/mol. Its IUPAC name is 1-(2-bromoethyl)-4-[(2-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-bromoethyl)-4-[(2-fluorophenyl)methyl]piperazine
PubChem CID80674131
Molecular FormulaC13H18BrFN2
Molecular Weight301.20 g/mol
Exact Mass300.06
IUPAC Name1-(2-bromoethyl)-4-[(2-fluorophenyl)methyl]piperazine
SMILESFc1ccccc1CN1CCN(CCBr)CC1
InChIInChI=1S/C13H18BrFN2/c14-5-6-16-7-9-17(10-8-16)11-12-3-1-2-4-13(12)15/h1-4H,5-11H2
InChIKeyOQMHNFBIPPOOGM-UHFFFAOYSA-N
XLogP2.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,6-dichlorophenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine
CID 22195534
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192
4-chloro-1-[(2-fluorophenyl)methyl]piperidine
CID 63389364
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoacetic acid
CID 82122743
1-cyclopentyl-4-[(2-fluorophenyl)methyl]piperazine
CID 740956
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
1-[(2-fluorophenyl)methyl]-4-(4-pyrrol-1-ylphenyl)piperazine
CID 91674824
1-[(2-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine
CID 8749281
1-[(2-fluorophenyl)methyl]-4-methylpiperidin-4-amine
CID 82114659
1-[(2,3-difluorophenyl)methyl]azetidine
CID 126989798
1-[(2,3-dimethoxyphenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine
CID 770198
N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 27534923

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-4-[(2-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-(2-bromoethyl)-4-[(2-fluorophenyl)methyl]piperazine (CID 80674131) is 1-(2-bromoethyl)-4-[(2-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-(2-bromoethyl)-4-[(2-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-(2-bromoethyl)-4-[(2-fluorophenyl)methyl]piperazine is Fc1ccccc1CN1CCN(CCBr)CC1.
What is the InChIKey of 1-(2-bromoethyl)-4-[(2-fluorophenyl)methyl]piperazine?
The InChIKey is OQMHNFBIPPOOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2/c14-5-6-16-7-9-17(10-8-16)11-12-3-1-2-4-13(12)15/h1-4H,5-11H2.
What are the key properties of 1-(2-bromoethyl)-4-[(2-fluorophenyl)methyl]piperazine?
1-(2-bromoethyl)-4-[(2-fluorophenyl)methyl]piperazine has a molecular weight of 301.20 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-4-[(2-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 80674131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).