1-(4-aminopiperidin-1-yl)-2,2,2-trifluoroethanol

C7H13F3N2O — CID 154556728

IUPAC1-(4-aminopiperidin-1-yl)-2,2,2-trifluoroethanol
SMILESNC1CCN(C(O)C(F)(F)F)CC1
InChIInChI=1S/C7H13F3N2O/c8-7(9,10)6(13)12-3-1-5(11)2-4-12/h5-6,13H,1-4,11H2
InChIKeyYDJJEIZSAVFFNH-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.29
Rot. Bonds1

About 1-(4-aminopiperidin-1-yl)-2,2,2-trifluoroethanol

1-(4-aminopiperidin-1-yl)-2,2,2-trifluoroethanol (PubChem CID 154556728) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2,2,2-trifluoroethanol
PubChem CID154556728
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC Name1-(4-aminopiperidin-1-yl)-2,2,2-trifluoroethanol
SMILESNC1CCN(C(O)C(F)(F)F)CC1
InChIInChI=1S/C7H13F3N2O/c8-7(9,10)6(13)12-3-1-5(11)2-4-12/h5-6,13H,1-4,11H2
InChIKeyYDJJEIZSAVFFNH-UHFFFAOYSA-N
XLogP0.29
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2,2,2-trifluoroethanol (CID 154556728) is 1-(4-aminopiperidin-1-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2,2,2-trifluoroethanol is NC1CCN(C(O)C(F)(F)F)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2,2,2-trifluoroethanol?
The InChIKey is YDJJEIZSAVFFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c8-7(9,10)6(13)12-3-1-5(11)2-4-12/h5-6,13H,1-4,11H2.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2,2,2-trifluoroethanol?
1-(4-aminopiperidin-1-yl)-2,2,2-trifluoroethanol has a molecular weight of 198.19 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 154556728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).