N-[2-bromo-4-(fluoromethyl)phenyl]piperidin-3-amine

C12H16BrFN2 — CID 115052418

IUPACN-[2-bromo-4-(fluoromethyl)phenyl]piperidin-3-amine
SMILESFCc1ccc(NC2CCCNC2)c(Br)c1
InChIInChI=1S/C12H16BrFN2/c13-11-6-9(7-14)3-4-12(11)16-10-2-1-5-15-8-10/h3-4,6,10,15-16H,1-2,5,7-8H2
InChIKeyVWGSNFLYKXAJEY-UHFFFAOYSA-N
MW287.18 g/mol
LogP3.08
Rot. Bonds3

About N-[2-bromo-4-(fluoromethyl)phenyl]piperidin-3-amine

N-[2-bromo-4-(fluoromethyl)phenyl]piperidin-3-amine (PubChem CID 115052418) has the molecular formula C12H16BrFN2 and a molecular weight of 287.18 g/mol. Its IUPAC name is N-[2-bromo-4-(fluoromethyl)phenyl]piperidin-3-amine.

Molecular Properties

Compound NameN-[2-bromo-4-(fluoromethyl)phenyl]piperidin-3-amine
PubChem CID115052418
Molecular FormulaC12H16BrFN2
Molecular Weight287.18 g/mol
Exact Mass286.05
IUPAC NameN-[2-bromo-4-(fluoromethyl)phenyl]piperidin-3-amine
SMILESFCc1ccc(NC2CCCNC2)c(Br)c1
InChIInChI=1S/C12H16BrFN2/c13-11-6-9(7-14)3-4-12(11)16-10-2-1-5-15-8-10/h3-4,6,10,15-16H,1-2,5,7-8H2
InChIKeyVWGSNFLYKXAJEY-UHFFFAOYSA-N
XLogP3.08
TPSA24.06 Ų
H-Bond Donors2
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 ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-chloro-4-(fluoromethyl)phenyl]pyrrolidin-3-amine
CID 115036943
N-(2,4-dibromophenyl)pyrrolidin-3-amine
CID 79725192
N-(2,4,5-trifluorophenyl)piperidin-3-amine
CID 62814853
N-(5-bromo-2-chlorophenyl)piperidin-3-amine
CID 62913938
N-(2-bromo-4-methylphenyl)azepan-4-amine
CID 103980363
(3R)-N-(4-bromophenyl)piperidin-3-amine
CID 167150993
N-(2-bromophenyl)pyrrolidin-3-amine
CID 66545624
N-(4-bromo-2,6-difluorophenyl)piperidin-3-amine
CID 65468689
N-[4-(difluoromethyl)-2-(trifluoromethyl)phenyl]piperidin-3-amine
CID 115053273
N-[3-bromo-4-(trifluoromethoxy)phenyl]piperidin-3-amine
CID 107335985
N-(2-bromo-4-fluorophenyl)cyclooctanamine
CID 28939094
N-(4-bromo-2-fluorophenyl)azepan-4-amine
CID 103980423

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-4-(fluoromethyl)phenyl]piperidin-3-amine?
The IUPAC name of N-[2-bromo-4-(fluoromethyl)phenyl]piperidin-3-amine (CID 115052418) is N-[2-bromo-4-(fluoromethyl)phenyl]piperidin-3-amine.
What is the SMILES notation for N-[2-bromo-4-(fluoromethyl)phenyl]piperidin-3-amine?
The canonical SMILES for N-[2-bromo-4-(fluoromethyl)phenyl]piperidin-3-amine is FCc1ccc(NC2CCCNC2)c(Br)c1.
What is the InChIKey of N-[2-bromo-4-(fluoromethyl)phenyl]piperidin-3-amine?
The InChIKey is VWGSNFLYKXAJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2/c13-11-6-9(7-14)3-4-12(11)16-10-2-1-5-15-8-10/h3-4,6,10,15-16H,1-2,5,7-8H2.
What are the key properties of N-[2-bromo-4-(fluoromethyl)phenyl]piperidin-3-amine?
N-[2-bromo-4-(fluoromethyl)phenyl]piperidin-3-amine has a molecular weight of 287.18 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-4-(fluoromethyl)phenyl]piperidin-3-amine is sourced from PubChem (CID 115052418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).