(R)-[3-bromo-5-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine

C13H16BrF3N2 — CID 171314429

IUPAC(R)-[3-bromo-5-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine
SMILESN[C@@H](c1cc(Br)cc(C(F)(F)F)c1)C1CCNCC1
InChIInChI=1S/C13H16BrF3N2/c14-11-6-9(5-10(7-11)13(15,16)17)12(18)8-1-3-19-4-2-8/h5-8,12,19H,1-4,18H2/t12-/m1/s1
InChIKeySFAKNIHXRIVRJE-GFCCVEGCSA-N
MW337.18 g/mol
LogP3.47
Rot. Bonds2

About (R)-[3-bromo-5-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine

(R)-[3-bromo-5-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine (PubChem CID 171314429) has the molecular formula C13H16BrF3N2 and a molecular weight of 337.18 g/mol. Its IUPAC name is (R)-[3-bromo-5-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine.

Molecular Properties

Compound Name(R)-[3-bromo-5-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine
PubChem CID171314429
Molecular FormulaC13H16BrF3N2
Molecular Weight337.18 g/mol
Exact Mass336.04
IUPAC Name(R)-[3-bromo-5-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine
SMILESN[C@@H](c1cc(Br)cc(C(F)(F)F)c1)C1CCNCC1
InChIInChI=1S/C13H16BrF3N2/c14-11-6-9(5-10(7-11)13(15,16)17)12(18)8-1-3-19-4-2-8/h5-8,12,19H,1-4,18H2/t12-/m1/s1
InChIKeySFAKNIHXRIVRJE-GFCCVEGCSA-N
XLogP3.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-piperidin-4-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 171314104
[3,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride
CID 171922490
(S)-cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 131485190
(R)-(5-bromo-3-pyridinyl)-piperidin-4-ylmethanamine
CID 171314087
1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine
CID 171170628
3-[amino(cyclopropyl)methyl]-5-(trifluoromethyl)phenol
CID 130145934
cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 138986249
[3,5-bis(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine
CID 118086233
(R)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine
CID 171208388
(R)-cyclobutyl-(3,5-dibromophenyl)methanamine;hydrochloride
CID 171213936
piperidin-4-yl-[3-(trifluoromethyl)phenyl]methanol
CID 11392289
[3-bromo-5-(trifluoromethyl)phenyl]-piperidin-4-ylmethanone
CID 90020499

Frequently Asked Questions

What is the IUPAC name of (R)-[3-bromo-5-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine?
The IUPAC name of (R)-[3-bromo-5-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine (CID 171314429) is (R)-[3-bromo-5-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine.
What is the SMILES notation for (R)-[3-bromo-5-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine?
The canonical SMILES for (R)-[3-bromo-5-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine is N[C@@H](c1cc(Br)cc(C(F)(F)F)c1)C1CCNCC1.
What is the InChIKey of (R)-[3-bromo-5-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine?
The InChIKey is SFAKNIHXRIVRJE-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16BrF3N2/c14-11-6-9(5-10(7-11)13(15,16)17)12(18)8-1-3-19-4-2-8/h5-8,12,19H,1-4,18H2/t12-/m1/s1.
What are the key properties of (R)-[3-bromo-5-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine?
(R)-[3-bromo-5-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine has a molecular weight of 337.18 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[3-bromo-5-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine is sourced from PubChem (CID 171314429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).