1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine

C9H17F3N2 — CID 63597114

IUPAC1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2/c1-7(13)8-2-4-14(5-3-8)6-9(10,11)12/h7-8H,2-6,13H2,1H3
InChIKeyBUKCQFLBXVFHIQ-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.61
Rot. Bonds2

About 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine

1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine (PubChem CID 63597114) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine
PubChem CID63597114
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2/c1-7(13)8-2-4-14(5-3-8)6-9(10,11)12/h7-8H,2-6,13H2,1H3
InChIKeyBUKCQFLBXVFHIQ-UHFFFAOYSA-N
XLogP1.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine (CID 63597114) is 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine is CC(N)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine?
The InChIKey is BUKCQFLBXVFHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-7(13)8-2-4-14(5-3-8)6-9(10,11)12/h7-8H,2-6,13H2,1H3.
What are the key properties of 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine?
1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine has a molecular weight of 210.24 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 63597114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).