1-(2-bromoethyl)-4-(2,2-difluoro-2-phenylethyl)piperazine

C14H19BrF2N2 — CID 116790576

IUPAC1-(2-bromoethyl)-4-(2,2-difluoro-2-phenylethyl)piperazine
SMILESFC(F)(CN1CCN(CCBr)CC1)c1ccccc1
InChIInChI=1S/C14H19BrF2N2/c15-6-7-18-8-10-19(11-9-18)12-14(16,17)13-4-2-1-3-5-13/h1-5H,6-12H2
InChIKeyOMHASZYGHBXJDG-UHFFFAOYSA-N
MW333.22 g/mol
LogP2.79
Rot. Bonds5

About 1-(2-bromoethyl)-4-(2,2-difluoro-2-phenylethyl)piperazine

1-(2-bromoethyl)-4-(2,2-difluoro-2-phenylethyl)piperazine (PubChem CID 116790576) has the molecular formula C14H19BrF2N2 and a molecular weight of 333.22 g/mol. Its IUPAC name is 1-(2-bromoethyl)-4-(2,2-difluoro-2-phenylethyl)piperazine.

Molecular Properties

Compound Name1-(2-bromoethyl)-4-(2,2-difluoro-2-phenylethyl)piperazine
PubChem CID116790576
Molecular FormulaC14H19BrF2N2
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC Name1-(2-bromoethyl)-4-(2,2-difluoro-2-phenylethyl)piperazine
SMILESFC(F)(CN1CCN(CCBr)CC1)c1ccccc1
InChIInChI=1S/C14H19BrF2N2/c15-6-7-18-8-10-19(11-9-18)12-14(16,17)13-4-2-1-3-5-13/h1-5H,6-12H2
InChIKeyOMHASZYGHBXJDG-UHFFFAOYSA-N
XLogP2.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 52.79
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

3-[4-(2,2-difluoro-2-phenylethyl)piperazin-1-yl]propanoic acid
CID 116789913
1-(2,2-difluoro-2-phenylethyl)piperidine
CID 70652192
1-(2-bromoethyl)-4-(2-phenoxyethyl)piperazine
CID 80674242
4-(1-bromoethyl)-1-(2,2-difluoro-2-phenylethyl)piperidine
CID 106838270
2-[4-(2,2-difluoro-2-phenylethyl)piperazin-1-yl]-2-methylpropanenitrile
CID 116789396
1-(2-bromoethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 61287958
1-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]ethanone
CID 116789445
4-bromo-1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidine
CID 114682382
1-(2-bromoethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-diazepane
CID 80667654
1-(2-bromoethyl)-4-(3-phenoxypropyl)-1,4-diazepane
CID 80668169
1-(2-bromoethyl)-4-[(2-fluorophenyl)methyl]piperazine
CID 80674131
1-(2,2-difluoro-2-phenylethyl)-4-methylpiperidine-4-carbothioamide
CID 107161472

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-4-(2,2-difluoro-2-phenylethyl)piperazine?
The IUPAC name of 1-(2-bromoethyl)-4-(2,2-difluoro-2-phenylethyl)piperazine (CID 116790576) is 1-(2-bromoethyl)-4-(2,2-difluoro-2-phenylethyl)piperazine.
What is the SMILES notation for 1-(2-bromoethyl)-4-(2,2-difluoro-2-phenylethyl)piperazine?
The canonical SMILES for 1-(2-bromoethyl)-4-(2,2-difluoro-2-phenylethyl)piperazine is FC(F)(CN1CCN(CCBr)CC1)c1ccccc1.
What is the InChIKey of 1-(2-bromoethyl)-4-(2,2-difluoro-2-phenylethyl)piperazine?
The InChIKey is OMHASZYGHBXJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrF2N2/c15-6-7-18-8-10-19(11-9-18)12-14(16,17)13-4-2-1-3-5-13/h1-5H,6-12H2.
What are the key properties of 1-(2-bromoethyl)-4-(2,2-difluoro-2-phenylethyl)piperazine?
1-(2-bromoethyl)-4-(2,2-difluoro-2-phenylethyl)piperazine has a molecular weight of 333.22 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-4-(2,2-difluoro-2-phenylethyl)piperazine is sourced from PubChem (CID 116790576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).