4-(2,2,2-trifluoroethoxy)piperidin-3-amine

C7H13F3N2O — CID 123362223

IUPAC4-(2,2,2-trifluoroethoxy)piperidin-3-amine
SMILESNC1CNCCC1OCC(F)(F)F
InChIInChI=1S/C7H13F3N2O/c8-7(9,10)4-13-6-1-2-12-3-5(6)11/h5-6,12H,1-4,11H2
InChIKeyMJGOBMMYRLFUKM-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.25
Rot. Bonds2

About 4-(2,2,2-trifluoroethoxy)piperidin-3-amine

4-(2,2,2-trifluoroethoxy)piperidin-3-amine (PubChem CID 123362223) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxy)piperidin-3-amine.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxy)piperidin-3-amine
PubChem CID123362223
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC Name4-(2,2,2-trifluoroethoxy)piperidin-3-amine
SMILESNC1CNCCC1OCC(F)(F)F
InChIInChI=1S/C7H13F3N2O/c8-7(9,10)4-13-6-1-2-12-3-5(6)11/h5-6,12H,1-4,11H2
InChIKeyMJGOBMMYRLFUKM-UHFFFAOYSA-N
XLogP0.25
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxy)piperidin-3-amine?
The IUPAC name of 4-(2,2,2-trifluoroethoxy)piperidin-3-amine (CID 123362223) is 4-(2,2,2-trifluoroethoxy)piperidin-3-amine.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxy)piperidin-3-amine?
The canonical SMILES for 4-(2,2,2-trifluoroethoxy)piperidin-3-amine is NC1CNCCC1OCC(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoroethoxy)piperidin-3-amine?
The InChIKey is MJGOBMMYRLFUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c8-7(9,10)4-13-6-1-2-12-3-5(6)11/h5-6,12H,1-4,11H2.
What are the key properties of 4-(2,2,2-trifluoroethoxy)piperidin-3-amine?
4-(2,2,2-trifluoroethoxy)piperidin-3-amine has a molecular weight of 198.19 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxy)piperidin-3-amine is sourced from PubChem (CID 123362223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).