N-[5-bromo-2-(trifluoromethyl)phenyl]piperidin-4-amine

C12H14BrF3N2 — CID 107286818

IUPACN-[5-bromo-2-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESFC(F)(F)c1ccc(Br)cc1NC1CCNCC1
InChIInChI=1S/C12H14BrF3N2/c13-8-1-2-10(12(14,15)16)11(7-8)18-9-3-5-17-6-4-9/h1-2,7,9,17-18H,3-6H2
InChIKeyHZYUZYKIYAVMRW-UHFFFAOYSA-N
MW323.16 g/mol
LogP3.63
Rot. Bonds2

About N-[5-bromo-2-(trifluoromethyl)phenyl]piperidin-4-amine

N-[5-bromo-2-(trifluoromethyl)phenyl]piperidin-4-amine (PubChem CID 107286818) has the molecular formula C12H14BrF3N2 and a molecular weight of 323.16 g/mol. Its IUPAC name is N-[5-bromo-2-(trifluoromethyl)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[5-bromo-2-(trifluoromethyl)phenyl]piperidin-4-amine
PubChem CID107286818
Molecular FormulaC12H14BrF3N2
Molecular Weight323.16 g/mol
Exact Mass322.03
IUPAC NameN-[5-bromo-2-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESFC(F)(F)c1ccc(Br)cc1NC1CCNCC1
InChIInChI=1S/C12H14BrF3N2/c13-8-1-2-10(12(14,15)16)11(7-8)18-9-3-5-17-6-4-9/h1-2,7,9,17-18H,3-6H2
InChIKeyHZYUZYKIYAVMRW-UHFFFAOYSA-N
XLogP3.63
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[5-bromo-2-(trifluoromethyl)phenyl]-1-N-methylcyclohexane-1,4-diamine
CID 107286948
N-[5-bromo-2-(trifluoromethyl)phenyl]-2-methylpiperidin-4-amine
CID 107287024
N-(4-bromo-2-fluorophenyl)piperidin-4-amine
CID 61016241
3-[5-bromo-2-(trifluoromethyl)anilino]piperidin-2-one
CID 107286185
N-(4-bromo-2-fluorophenyl)azepan-4-amine
CID 103980423
3-[5-bromo-2-(trifluoromethyl)anilino]piperidine-2,6-dione
CID 107286372
4-bromo-N-(piperidin-4-ylmethyl)-2-(trifluoromethyl)aniline
CID 65483818
5-bromo-N-[(4-methylpiperidin-4-yl)methyl]-2-(trifluoromethyl)aniline
CID 107286988
N-(2,4-dibromophenyl)pyrrolidin-3-amine
CID 79725192
N-(2-bromo-5-fluorophenyl)piperidin-4-amine
CID 107632991
2-[5-bromo-2-(trifluoromethyl)anilino]-1-cyclopropylethanol
CID 107286259
5-bromo-N-(3-piperazin-1-ylpropyl)-2-(trifluoromethyl)aniline
CID 107286817

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(trifluoromethyl)phenyl]piperidin-4-amine?
The IUPAC name of N-[5-bromo-2-(trifluoromethyl)phenyl]piperidin-4-amine (CID 107286818) is N-[5-bromo-2-(trifluoromethyl)phenyl]piperidin-4-amine.
What is the SMILES notation for N-[5-bromo-2-(trifluoromethyl)phenyl]piperidin-4-amine?
The canonical SMILES for N-[5-bromo-2-(trifluoromethyl)phenyl]piperidin-4-amine is FC(F)(F)c1ccc(Br)cc1NC1CCNCC1.
What is the InChIKey of N-[5-bromo-2-(trifluoromethyl)phenyl]piperidin-4-amine?
The InChIKey is HZYUZYKIYAVMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF3N2/c13-8-1-2-10(12(14,15)16)11(7-8)18-9-3-5-17-6-4-9/h1-2,7,9,17-18H,3-6H2.
What are the key properties of N-[5-bromo-2-(trifluoromethyl)phenyl]piperidin-4-amine?
N-[5-bromo-2-(trifluoromethyl)phenyl]piperidin-4-amine has a molecular weight of 323.16 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-(trifluoromethyl)phenyl]piperidin-4-amine is sourced from PubChem (CID 107286818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).