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

C13H18F3N3 — CID 63761657

IUPAC2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanamine
SMILESNCCC1CCCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C13H18F3N3/c14-13(15,16)11-3-4-12(18-8-11)19-7-1-2-10(9-19)5-6-17/h3-4,8,10H,1-2,5-7,9,17H2
InChIKeyXXNOKAXTEYNDTH-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.67
Rot. Bonds3

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

2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanamine (PubChem CID 63761657) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanamine
PubChem CID63761657
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC Name2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanamine
SMILESNCCC1CCCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C13H18F3N3/c14-13(15,16)11-3-4-12(18-8-11)19-7-1-2-10(9-19)5-6-17/h3-4,8,10H,1-2,5-7,9,17H2
InChIKeyXXNOKAXTEYNDTH-UHFFFAOYSA-N
XLogP2.67
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanamine (CID 63761657) is 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanamine is NCCC1CCCN(c2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanamine?
The InChIKey is XXNOKAXTEYNDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c14-13(15,16)11-3-4-12(18-8-11)19-7-1-2-10(9-19)5-6-17/h3-4,8,10H,1-2,5-7,9,17H2.
What are the key properties of 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanamine?
2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanamine has a molecular weight of 273.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 63761657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).