N-(3-bromo-5-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C14H18BrF3N2 — CID 104938423

IUPACN-(3-bromo-5-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1cc(Br)cc(NC2CCN(CC(F)(F)F)CC2)c1
InChIInChI=1S/C14H18BrF3N2/c1-10-6-11(15)8-13(7-10)19-12-2-4-20(5-3-12)9-14(16,17)18/h6-8,12,19H,2-5,9H2,1H3
InChIKeyFYDIYYVURJYRHP-UHFFFAOYSA-N
MW351.21 g/mol
LogP4.20
Rot. Bonds3

About N-(3-bromo-5-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(3-bromo-5-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 104938423) has the molecular formula C14H18BrF3N2 and a molecular weight of 351.21 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID104938423
Molecular FormulaC14H18BrF3N2
Molecular Weight351.21 g/mol
Exact Mass350.06
IUPAC NameN-(3-bromo-5-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1cc(Br)cc(NC2CCN(CC(F)(F)F)CC2)c1
InChIInChI=1S/C14H18BrF3N2/c1-10-6-11(15)8-13(7-10)19-12-2-4-20(5-3-12)9-14(16,17)18/h6-8,12,19H,2-5,9H2,1H3
InChIKeyFYDIYYVURJYRHP-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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Related Compounds

N-(3-bromo-5-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 107582294
4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzene-1,4-diamine
CID 144655800
N-(3-bromo-5-methylphenyl)-1-methylpyrrolidin-3-amine
CID 107582028
1-(2,2,2-trifluoroethyl)-N-[(2,4,6-trimethylphenyl)methyl]piperidin-4-amine
CID 119107086
N-(4-bromo-2,5-difluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 107609894
N-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43760602
N-thiophen-3-yl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 66352549
1-methyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one
CID 60932164
N-(4-iodo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43785266
N-(2-bromo-5-chlorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 81270640
N-(3-bromo-5-methylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 104938392
N-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 5184956

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(3-bromo-5-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 104938423) is N-(3-bromo-5-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is Cc1cc(Br)cc(NC2CCN(CC(F)(F)F)CC2)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is FYDIYYVURJYRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF3N2/c1-10-6-11(15)8-13(7-10)19-12-2-4-20(5-3-12)9-14(16,17)18/h6-8,12,19H,2-5,9H2,1H3.
What are the key properties of N-(3-bromo-5-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(3-bromo-5-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-(3-bromo-5-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 104938423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).