N-(2-bromo-5-chlorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C13H15BrClF3N2 — CID 81270640

IUPACN-(2-bromo-5-chlorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(Nc2cc(Cl)ccc2Br)CC1
InChIInChI=1S/C13H15BrClF3N2/c14-11-2-1-9(15)7-12(11)19-10-3-5-20(6-4-10)8-13(16,17)18/h1-2,7,10,19H,3-6,8H2
InChIKeyXSHGITOWSPISIO-UHFFFAOYSA-N
MW371.63 g/mol
LogP4.54
Rot. Bonds3

About N-(2-bromo-5-chlorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(2-bromo-5-chlorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 81270640) has the molecular formula C13H15BrClF3N2 and a molecular weight of 371.63 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID81270640
Molecular FormulaC13H15BrClF3N2
Molecular Weight371.63 g/mol
Exact Mass370.01
IUPAC NameN-(2-bromo-5-chlorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(Nc2cc(Cl)ccc2Br)CC1
InChIInChI=1S/C13H15BrClF3N2/c14-11-2-1-9(15)7-12(11)19-10-3-5-20(6-4-10)8-13(16,17)18/h1-2,7,10,19H,3-6,8H2
InChIKeyXSHGITOWSPISIO-UHFFFAOYSA-N
XLogP4.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.63
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43785130
N-(4-bromo-2,5-difluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 107609894
N-(3-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43772940
N-[(4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43772111
N-(2-bromo-5-chlorophenyl)pyrrolidin-3-amine
CID 81264104
N-(4-iodo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43785266
N-(3-bromo-5-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 104938423
N-[(2-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61402160
4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzene-1,4-diamine
CID 144655800
N-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43760602
N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 107648861
N-(2-bromo-5-chlorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81264539

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 81270640) is N-(2-bromo-5-chlorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is FC(F)(F)CN1CCC(Nc2cc(Cl)ccc2Br)CC1.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is XSHGITOWSPISIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClF3N2/c14-11-2-1-9(15)7-12(11)19-10-3-5-20(6-4-10)8-13(16,17)18/h1-2,7,10,19H,3-6,8H2.
What are the key properties of N-(2-bromo-5-chlorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(2-bromo-5-chlorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 371.63 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 81270640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).