2-[1-[2-bromo-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanamine

C14H18BrF3N2O — CID 82688646

IUPAC2-[1-[2-bromo-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanamine
SMILESNCCOC1CCN(c2ccc(C(F)(F)F)cc2Br)CC1
InChIInChI=1S/C14H18BrF3N2O/c15-12-9-10(14(16,17)18)1-2-13(12)20-6-3-11(4-7-20)21-8-5-19/h1-2,9,11H,3-8,19H2
InChIKeyQMUZBHKMCRVPDI-UHFFFAOYSA-N
MW367.21 g/mol
LogP3.41
Rot. Bonds4

About 2-[1-[2-bromo-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanamine

2-[1-[2-bromo-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanamine (PubChem CID 82688646) has the molecular formula C14H18BrF3N2O and a molecular weight of 367.21 g/mol. Its IUPAC name is 2-[1-[2-bromo-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanamine.

Molecular Properties

Compound Name2-[1-[2-bromo-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanamine
PubChem CID82688646
Molecular FormulaC14H18BrF3N2O
Molecular Weight367.21 g/mol
Exact Mass366.06
IUPAC Name2-[1-[2-bromo-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanamine
SMILESNCCOC1CCN(c2ccc(C(F)(F)F)cc2Br)CC1
InChIInChI=1S/C14H18BrF3N2O/c15-12-9-10(14(16,17)18)1-2-13(12)20-6-3-11(4-7-20)21-8-5-19/h1-2,9,11H,3-8,19H2
InChIKeyQMUZBHKMCRVPDI-UHFFFAOYSA-N
XLogP3.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-bromo-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanamine?
The IUPAC name of 2-[1-[2-bromo-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanamine (CID 82688646) is 2-[1-[2-bromo-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanamine.
What is the SMILES notation for 2-[1-[2-bromo-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanamine?
The canonical SMILES for 2-[1-[2-bromo-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanamine is NCCOC1CCN(c2ccc(C(F)(F)F)cc2Br)CC1.
What is the InChIKey of 2-[1-[2-bromo-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanamine?
The InChIKey is QMUZBHKMCRVPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF3N2O/c15-12-9-10(14(16,17)18)1-2-13(12)20-6-3-11(4-7-20)21-8-5-19/h1-2,9,11H,3-8,19H2.
What are the key properties of 2-[1-[2-bromo-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanamine?
2-[1-[2-bromo-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanamine has a molecular weight of 367.21 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-bromo-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanamine is sourced from PubChem (CID 82688646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).