4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]piperidine

C12H14Br2FN — CID 80679697

IUPAC4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]piperidine
SMILESFc1ccc(Br)cc1CN1CCC(Br)CC1
InChIInChI=1S/C12H14Br2FN/c13-10-3-5-16(6-4-10)8-9-7-11(14)1-2-12(9)15/h1-2,7,10H,3-6,8H2
InChIKeyYGCBVKXVUUUXTG-UHFFFAOYSA-N
MW351.06 g/mol
LogP3.95
Rot. Bonds2

About 4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]piperidine

4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]piperidine (PubChem CID 80679697) has the molecular formula C12H14Br2FN and a molecular weight of 351.06 g/mol. Its IUPAC name is 4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]piperidine
PubChem CID80679697
Molecular FormulaC12H14Br2FN
Molecular Weight351.06 g/mol
Exact Mass348.95
IUPAC Name4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]piperidine
SMILESFc1ccc(Br)cc1CN1CCC(Br)CC1
InChIInChI=1S/C12H14Br2FN/c13-10-3-5-16(6-4-10)8-9-7-11(14)1-2-12(9)15/h1-2,7,10H,3-6,8H2
InChIKeyYGCBVKXVUUUXTG-UHFFFAOYSA-N
XLogP3.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.06
LogP ≤ 53.95
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-[(5-bromo-2-fluorophenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909746
(3R)-1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-ol
CID 78963344
1-[(5-bromo-2-fluorophenyl)methyl]-N'-hydroxypiperidine-4-carboximidamide
CID 77038667
[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 62371729
1-[(5-bromo-2-fluorophenyl)methyl]-3-chloro-4-methylpiperidine
CID 102959942
3-[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63905518
2-[(5-bromo-2-fluorophenyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49234241
4-bromo-1-[(4-bromophenyl)methyl]piperidine
CID 80680051
1-[(5-bromo-2-fluorophenyl)methyl]-3-propan-2-ylpiperazine
CID 64834214
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-yl]methanamine
CID 43438739
4-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)morpholine
CID 81210968
1-[(2,5-difluorophenyl)methyl]piperidin-4-ol
CID 24904993

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]piperidine?
The IUPAC name of 4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]piperidine (CID 80679697) is 4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]piperidine.
What is the SMILES notation for 4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]piperidine?
The canonical SMILES for 4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]piperidine is Fc1ccc(Br)cc1CN1CCC(Br)CC1.
What is the InChIKey of 4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]piperidine?
The InChIKey is YGCBVKXVUUUXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2FN/c13-10-3-5-16(6-4-10)8-9-7-11(14)1-2-12(9)15/h1-2,7,10H,3-6,8H2.
What are the key properties of 4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]piperidine?
4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]piperidine has a molecular weight of 351.06 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]piperidine is sourced from PubChem (CID 80679697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).