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

C15H20BrF2N — CID 106838270

IUPAC4-(1-bromoethyl)-1-(2,2-difluoro-2-phenylethyl)piperidine
SMILESCC(Br)C1CCN(CC(F)(F)c2ccccc2)CC1
InChIInChI=1S/C15H20BrF2N/c1-12(16)13-7-9-19(10-8-13)11-15(17,18)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3
InChIKeyAOHYZCBMBSAJPJ-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.27
Rot. Bonds4

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

4-(1-bromoethyl)-1-(2,2-difluoro-2-phenylethyl)piperidine (PubChem CID 106838270) has the molecular formula C15H20BrF2N and a molecular weight of 332.23 g/mol. Its IUPAC name is 4-(1-bromoethyl)-1-(2,2-difluoro-2-phenylethyl)piperidine.

Molecular Properties

Compound Name4-(1-bromoethyl)-1-(2,2-difluoro-2-phenylethyl)piperidine
PubChem CID106838270
Molecular FormulaC15H20BrF2N
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name4-(1-bromoethyl)-1-(2,2-difluoro-2-phenylethyl)piperidine
SMILESCC(Br)C1CCN(CC(F)(F)c2ccccc2)CC1
InChIInChI=1S/C15H20BrF2N/c1-12(16)13-7-9-19(10-8-13)11-15(17,18)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3
InChIKeyAOHYZCBMBSAJPJ-UHFFFAOYSA-N
XLogP4.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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-(2,2-difluoro-2-phenylethyl)piperidine
CID 70652192
1-(2-bromoethyl)-4-(2,2-difluoro-2-phenylethyl)piperazine
CID 116790576
4-(2-chloroethoxy)-1-(2,2-difluoro-2-phenylethyl)piperidine
CID 116790596
N-[[1-(2,2-difluoro-2-phenylethyl)piperidin-3-yl]methyl]propan-2-amine
CID 116789672
2-amino-2-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propanoic acid
CID 103501966
2-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 112698258
N-[1-[1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]acetamide
CID 146103213
N-[(1-ethylpiperidin-4-yl)methyl]-2,2-difluoro-2-phenylethanamine
CID 116788979
1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]propan-2-ol
CID 114338111
2-[4-(2,2-difluoro-2-phenylethyl)piperazin-1-yl]-2-methylpropanenitrile
CID 116789396

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromoethyl)-1-(2,2-difluoro-2-phenylethyl)piperidine?
The IUPAC name of 4-(1-bromoethyl)-1-(2,2-difluoro-2-phenylethyl)piperidine (CID 106838270) is 4-(1-bromoethyl)-1-(2,2-difluoro-2-phenylethyl)piperidine.
What is the SMILES notation for 4-(1-bromoethyl)-1-(2,2-difluoro-2-phenylethyl)piperidine?
The canonical SMILES for 4-(1-bromoethyl)-1-(2,2-difluoro-2-phenylethyl)piperidine is CC(Br)C1CCN(CC(F)(F)c2ccccc2)CC1.
What is the InChIKey of 4-(1-bromoethyl)-1-(2,2-difluoro-2-phenylethyl)piperidine?
The InChIKey is AOHYZCBMBSAJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF2N/c1-12(16)13-7-9-19(10-8-13)11-15(17,18)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3.
What are the key properties of 4-(1-bromoethyl)-1-(2,2-difluoro-2-phenylethyl)piperidine?
4-(1-bromoethyl)-1-(2,2-difluoro-2-phenylethyl)piperidine has a molecular weight of 332.23 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromoethyl)-1-(2,2-difluoro-2-phenylethyl)piperidine is sourced from PubChem (CID 106838270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).