1-[2-(bromomethyl)-4-fluorophenyl]-3,4-dimethylpiperidine

C14H19BrFN — CID 107085212

IUPAC1-[2-(bromomethyl)-4-fluorophenyl]-3,4-dimethylpiperidine
SMILESCC1CCN(c2ccc(F)cc2CBr)CC1C
InChIInChI=1S/C14H19BrFN/c1-10-5-6-17(9-11(10)2)14-4-3-13(16)7-12(14)8-15/h3-4,7,10-11H,5-6,8-9H2,1-2H3
InChIKeyOPSDLTXOEIKVNG-UHFFFAOYSA-N
MW300.22 g/mol
LogP4.20
Rot. Bonds2

About 1-[2-(bromomethyl)-4-fluorophenyl]-3,4-dimethylpiperidine

1-[2-(bromomethyl)-4-fluorophenyl]-3,4-dimethylpiperidine (PubChem CID 107085212) has the molecular formula C14H19BrFN and a molecular weight of 300.22 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-4-fluorophenyl]-3,4-dimethylpiperidine.

Molecular Properties

Compound Name1-[2-(bromomethyl)-4-fluorophenyl]-3,4-dimethylpiperidine
PubChem CID107085212
Molecular FormulaC14H19BrFN
Molecular Weight300.22 g/mol
Exact Mass299.07
IUPAC Name1-[2-(bromomethyl)-4-fluorophenyl]-3,4-dimethylpiperidine
SMILESCC1CCN(c2ccc(F)cc2CBr)CC1C
InChIInChI=1S/C14H19BrFN/c1-10-5-6-17(9-11(10)2)14-4-3-13(16)7-12(14)8-15/h3-4,7,10-11H,5-6,8-9H2,1-2H3
InChIKeyOPSDLTXOEIKVNG-UHFFFAOYSA-N
XLogP4.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-4-fluorophenyl]-3,4-dimethylpiperidine?
The IUPAC name of 1-[2-(bromomethyl)-4-fluorophenyl]-3,4-dimethylpiperidine (CID 107085212) is 1-[2-(bromomethyl)-4-fluorophenyl]-3,4-dimethylpiperidine.
What is the SMILES notation for 1-[2-(bromomethyl)-4-fluorophenyl]-3,4-dimethylpiperidine?
The canonical SMILES for 1-[2-(bromomethyl)-4-fluorophenyl]-3,4-dimethylpiperidine is CC1CCN(c2ccc(F)cc2CBr)CC1C.
What is the InChIKey of 1-[2-(bromomethyl)-4-fluorophenyl]-3,4-dimethylpiperidine?
The InChIKey is OPSDLTXOEIKVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-10-5-6-17(9-11(10)2)14-4-3-13(16)7-12(14)8-15/h3-4,7,10-11H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[2-(bromomethyl)-4-fluorophenyl]-3,4-dimethylpiperidine?
1-[2-(bromomethyl)-4-fluorophenyl]-3,4-dimethylpiperidine has a molecular weight of 300.22 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-4-fluorophenyl]-3,4-dimethylpiperidine is sourced from PubChem (CID 107085212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).