N-[(2-bromo-4-fluorophenyl)methyl]piperidin-1-amine

C12H16BrFN2 — CID 83014067

IUPACN-[(2-bromo-4-fluorophenyl)methyl]piperidin-1-amine
SMILESFc1ccc(CNN2CCCCC2)c(Br)c1
InChIInChI=1S/C12H16BrFN2/c13-12-8-11(14)5-4-10(12)9-15-16-6-2-1-3-7-16/h4-5,8,15H,1-3,6-7,9H2
InChIKeyRQQODSYOZFDRDQ-UHFFFAOYSA-N
MW287.18 g/mol
LogP3.08
Rot. Bonds3

About N-[(2-bromo-4-fluorophenyl)methyl]piperidin-1-amine

N-[(2-bromo-4-fluorophenyl)methyl]piperidin-1-amine (PubChem CID 83014067) has the molecular formula C12H16BrFN2 and a molecular weight of 287.18 g/mol. Its IUPAC name is N-[(2-bromo-4-fluorophenyl)methyl]piperidin-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-4-fluorophenyl)methyl]piperidin-1-amine
PubChem CID83014067
Molecular FormulaC12H16BrFN2
Molecular Weight287.18 g/mol
Exact Mass286.05
IUPAC NameN-[(2-bromo-4-fluorophenyl)methyl]piperidin-1-amine
SMILESFc1ccc(CNN2CCCCC2)c(Br)c1
InChIInChI=1S/C12H16BrFN2/c13-12-8-11(14)5-4-10(12)9-15-16-6-2-1-3-7-16/h4-5,8,15H,1-3,6-7,9H2
InChIKeyRQQODSYOZFDRDQ-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromo-4-fluorophenyl)methyl]azepane
CID 60711853
1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine
CID 60711879
N-[(2-bromo-4-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 54938184
N-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-1-amine
CID 80503148
N-[(2-bromo-4-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 54967491
N-[(4-fluoro-2-methylphenyl)methyl]morpholin-4-amine
CID 83010011
N-[(2-bromo-4-fluorophenyl)methyl]-1-ethylcyclobutan-1-amine
CID 115732717
N-[(2-bromo-4-fluorophenyl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 43628921
N-[(2-bromo-4-fluorophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine
CID 103792535
N-[(2-bromo-4-fluorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43199350
1-[(2-bromo-5-fluorophenyl)methyl]piperidine
CID 137320857
2-[(2-bromo-4-fluorophenyl)methylamino]ethanol
CID 43416404

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]piperidin-1-amine?
The IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]piperidin-1-amine (CID 83014067) is N-[(2-bromo-4-fluorophenyl)methyl]piperidin-1-amine.
What is the SMILES notation for N-[(2-bromo-4-fluorophenyl)methyl]piperidin-1-amine?
The canonical SMILES for N-[(2-bromo-4-fluorophenyl)methyl]piperidin-1-amine is Fc1ccc(CNN2CCCCC2)c(Br)c1.
What is the InChIKey of N-[(2-bromo-4-fluorophenyl)methyl]piperidin-1-amine?
The InChIKey is RQQODSYOZFDRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2/c13-12-8-11(14)5-4-10(12)9-15-16-6-2-1-3-7-16/h4-5,8,15H,1-3,6-7,9H2.
What are the key properties of N-[(2-bromo-4-fluorophenyl)methyl]piperidin-1-amine?
N-[(2-bromo-4-fluorophenyl)methyl]piperidin-1-amine has a molecular weight of 287.18 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-fluorophenyl)methyl]piperidin-1-amine is sourced from PubChem (CID 83014067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).