N-[(2-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C14H18BrF3N2 — CID 61402160

IUPACN-[(2-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCc2ccccc2Br)CC1
InChIInChI=1S/C14H18BrF3N2/c15-13-4-2-1-3-11(13)9-19-12-5-7-20(8-6-12)10-14(16,17)18/h1-4,12,19H,5-10H2
InChIKeyLJWCNVAUGIEGBZ-UHFFFAOYSA-N
MW351.21 g/mol
LogP3.57
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[(2-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 61402160) has the molecular formula C14H18BrF3N2 and a molecular weight of 351.21 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID61402160
Molecular FormulaC14H18BrF3N2
Molecular Weight351.21 g/mol
Exact Mass350.06
IUPAC NameN-[(2-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCc2ccccc2Br)CC1
InChIInChI=1S/C14H18BrF3N2/c15-13-4-2-1-3-11(13)9-19-12-5-7-20(8-6-12)10-14(16,17)18/h1-4,12,19H,5-10H2
InChIKeyLJWCNVAUGIEGBZ-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 61402160) is N-[(2-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is FC(F)(F)CN1CCC(NCc2ccccc2Br)CC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is LJWCNVAUGIEGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF3N2/c15-13-4-2-1-3-11(13)9-19-12-5-7-20(8-6-12)10-14(16,17)18/h1-4,12,19H,5-10H2.
What are the key properties of N-[(2-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[(2-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 351.21 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 61402160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).