2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethanamine

C13H18F3N3 — CID 71651587

IUPAC2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethanamine
SMILESNCCN1CCC(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C13H18F3N3/c14-13(15,16)11-1-2-12(18-9-11)10-3-6-19(7-4-10)8-5-17/h1-2,9-10H,3-8,17H2
InChIKeyJCSWAOZMGDQTRZ-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.24
Rot. Bonds3

About 2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethanamine

2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethanamine (PubChem CID 71651587) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethanamine
PubChem CID71651587
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC Name2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethanamine
SMILESNCCN1CCC(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C13H18F3N3/c14-13(15,16)11-1-2-12(18-9-11)10-3-6-19(7-4-10)8-5-17/h1-2,9-10H,3-8,17H2
InChIKeyJCSWAOZMGDQTRZ-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethanamine (CID 71651587) is 2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethanamine is NCCN1CCC(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethanamine?
The InChIKey is JCSWAOZMGDQTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c14-13(15,16)11-1-2-12(18-9-11)10-3-6-19(7-4-10)8-5-17/h1-2,9-10H,3-8,17H2.
What are the key properties of 2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethanamine?
2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethanamine has a molecular weight of 273.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethanamine is sourced from PubChem (CID 71651587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).