2,2,2-trifluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]ethanamine

C12H23F3N2 — CID 43307304

IUPAC2,2,2-trifluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]ethanamine
SMILESCCCN1CCCC(C(C)NCC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2/c1-3-6-17-7-4-5-11(8-17)10(2)16-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyIWQGFHWAEWHRGL-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.65
Rot. Bonds5

About 2,2,2-trifluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]ethanamine

2,2,2-trifluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]ethanamine (PubChem CID 43307304) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]ethanamine
PubChem CID43307304
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name2,2,2-trifluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]ethanamine
SMILESCCCN1CCCC(C(C)NCC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2/c1-3-6-17-7-4-5-11(8-17)10(2)16-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyIWQGFHWAEWHRGL-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]ethanamine (CID 43307304) is 2,2,2-trifluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]ethanamine is CCCN1CCCC(C(C)NCC(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]ethanamine?
The InChIKey is IWQGFHWAEWHRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-3-6-17-7-4-5-11(8-17)10(2)16-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]ethanamine?
2,2,2-trifluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]ethanamine has a molecular weight of 252.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]ethanamine is sourced from PubChem (CID 43307304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).