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

C12H15BrFN — CID 137320857

IUPAC1-[(2-bromo-5-fluorophenyl)methyl]piperidine
SMILESFc1ccc(Br)c(CN2CCCCC2)c1
InChIInChI=1S/C12H15BrFN/c13-12-5-4-11(14)8-10(12)9-15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2
InChIKeyJZGVNAZCQACWOF-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.57
Rot. Bonds2

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

1-[(2-bromo-5-fluorophenyl)methyl]piperidine (PubChem CID 137320857) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 1-[(2-bromo-5-fluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name1-[(2-bromo-5-fluorophenyl)methyl]piperidine
PubChem CID137320857
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name1-[(2-bromo-5-fluorophenyl)methyl]piperidine
SMILESFc1ccc(Br)c(CN2CCCCC2)c1
InChIInChI=1S/C12H15BrFN/c13-12-5-4-11(14)8-10(12)9-15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2
InChIKeyJZGVNAZCQACWOF-UHFFFAOYSA-N
XLogP3.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-bromo-5-fluorophenyl)methyl]azepane
CID 146004203
1-[(2-bromo-4-fluorophenyl)methyl]azepane
CID 60711853
1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine
CID 60711879
1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-ol
CID 62021902
1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910188
[4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine
CID 64768327
1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpiperidin-3-amine
CID 55086252
[5-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 63288576
1-[(2-bromo-5-fluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 114681427
N-[[1-[(2-bromo-5-fluorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 80552381
[2-(azepan-1-ylmethyl)-5-fluorophenyl]boronic acid
CID 54970471
4-fluoro-2-[[4-[(5-fluoro-2-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenol
CID 102417416

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-fluorophenyl)methyl]piperidine?
The IUPAC name of 1-[(2-bromo-5-fluorophenyl)methyl]piperidine (CID 137320857) is 1-[(2-bromo-5-fluorophenyl)methyl]piperidine.
What is the SMILES notation for 1-[(2-bromo-5-fluorophenyl)methyl]piperidine?
The canonical SMILES for 1-[(2-bromo-5-fluorophenyl)methyl]piperidine is Fc1ccc(Br)c(CN2CCCCC2)c1.
What is the InChIKey of 1-[(2-bromo-5-fluorophenyl)methyl]piperidine?
The InChIKey is JZGVNAZCQACWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c13-12-5-4-11(14)8-10(12)9-15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2.
What are the key properties of 1-[(2-bromo-5-fluorophenyl)methyl]piperidine?
1-[(2-bromo-5-fluorophenyl)methyl]piperidine has a molecular weight of 272.16 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-fluorophenyl)methyl]piperidine is sourced from PubChem (CID 137320857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).