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

C14H18BrF3N2 — CID 43787903

IUPACN-(5-bromo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1ccc(Br)cc1NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H18BrF3N2/c1-10-2-3-11(15)8-13(10)19-12-4-6-20(7-5-12)9-14(16,17)18/h2-3,8,12,19H,4-7,9H2,1H3
InChIKeyFGNSBNOCOKTXQC-UHFFFAOYSA-N
MW351.21 g/mol
LogP4.20
Rot. Bonds3

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

N-(5-bromo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 43787903) has the molecular formula C14H18BrF3N2 and a molecular weight of 351.21 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID43787903
Molecular FormulaC14H18BrF3N2
Molecular Weight351.21 g/mol
Exact Mass350.06
IUPAC NameN-(5-bromo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1ccc(Br)cc1NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H18BrF3N2/c1-10-2-3-11(15)8-13(10)19-12-4-6-20(7-5-12)9-14(16,17)18/h2-3,8,12,19H,4-7,9H2,1H3
InChIKeyFGNSBNOCOKTXQC-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(5-bromo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 43787903) is N-(5-bromo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is Cc1ccc(Br)cc1NC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is FGNSBNOCOKTXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF3N2/c1-10-2-3-11(15)8-13(10)19-12-4-6-20(7-5-12)9-14(16,17)18/h2-3,8,12,19H,4-7,9H2,1H3.
What are the key properties of N-(5-bromo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(5-bromo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 351.21 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 43787903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).