N-(4-bromo-2,6-dimethylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C15H20BrF3N2 — CID 60945598

IUPACN-(4-bromo-2,6-dimethylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1cc(Br)cc(C)c1NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H20BrF3N2/c1-10-7-12(16)8-11(2)14(10)20-13-3-5-21(6-4-13)9-15(17,18)19/h7-8,13,20H,3-6,9H2,1-2H3
InChIKeyKBTBNUJODSLERM-UHFFFAOYSA-N
MW365.24 g/mol
LogP4.50
Rot. Bonds3

About N-(4-bromo-2,6-dimethylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(4-bromo-2,6-dimethylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 60945598) has the molecular formula C15H20BrF3N2 and a molecular weight of 365.24 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID60945598
Molecular FormulaC15H20BrF3N2
Molecular Weight365.24 g/mol
Exact Mass364.08
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1cc(Br)cc(C)c1NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H20BrF3N2/c1-10-7-12(16)8-11(2)14(10)20-13-3-5-21(6-4-13)9-15(17,18)19/h7-8,13,20H,3-6,9H2,1-2H3
InChIKeyKBTBNUJODSLERM-UHFFFAOYSA-N
XLogP4.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.24
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 60945598) is N-(4-bromo-2,6-dimethylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is Cc1cc(Br)cc(C)c1NC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is KBTBNUJODSLERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF3N2/c1-10-7-12(16)8-11(2)14(10)20-13-3-5-21(6-4-13)9-15(17,18)19/h7-8,13,20H,3-6,9H2,1-2H3.
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(4-bromo-2,6-dimethylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 365.24 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 60945598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).