(1R)-1-[5-[3-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]ethanamine

C13H18F3N3 — CID 83128116

IUPAC(1R)-1-[5-[3-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]ethanamine
SMILESC[C@@H](N)c1ccc(N2CCCC(C(F)(F)F)C2)cn1
InChIInChI=1S/C13H18F3N3/c1-9(17)12-5-4-11(7-18-12)19-6-2-3-10(8-19)13(14,15)16/h4-5,7,9-10H,2-3,6,8,17H2,1H3/t9-,10?/m1/s1
InChIKeyFUCAIOXVBWMRBU-YHMJZVADSA-N
MW273.30 g/mol
LogP2.88
Rot. Bonds2

About (1R)-1-[5-[3-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]ethanamine

(1R)-1-[5-[3-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]ethanamine (PubChem CID 83128116) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is (1R)-1-[5-[3-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-[3-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]ethanamine
PubChem CID83128116
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC Name(1R)-1-[5-[3-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]ethanamine
SMILESC[C@@H](N)c1ccc(N2CCCC(C(F)(F)F)C2)cn1
InChIInChI=1S/C13H18F3N3/c1-9(17)12-5-4-11(7-18-12)19-6-2-3-10(8-19)13(14,15)16/h4-5,7,9-10H,2-3,6,8,17H2,1H3/t9-,10?/m1/s1
InChIKeyFUCAIOXVBWMRBU-YHMJZVADSA-N
XLogP2.88
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-[3-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]ethanamine?
The IUPAC name of (1R)-1-[5-[3-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]ethanamine (CID 83128116) is (1R)-1-[5-[3-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-[3-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]ethanamine?
The canonical SMILES for (1R)-1-[5-[3-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]ethanamine is C[C@@H](N)c1ccc(N2CCCC(C(F)(F)F)C2)cn1.
What is the InChIKey of (1R)-1-[5-[3-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]ethanamine?
The InChIKey is FUCAIOXVBWMRBU-YHMJZVADSA-N. The full InChI is InChI=1S/C13H18F3N3/c1-9(17)12-5-4-11(7-18-12)19-6-2-3-10(8-19)13(14,15)16/h4-5,7,9-10H,2-3,6,8,17H2,1H3/t9-,10?/m1/s1.
What are the key properties of (1R)-1-[5-[3-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]ethanamine?
(1R)-1-[5-[3-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]ethanamine has a molecular weight of 273.30 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-[3-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]ethanamine is sourced from PubChem (CID 83128116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).