1,1,1-trifluoro-3-(piperidin-1-ylamino)propan-2-ol

C8H15F3N2O — CID 83014818

IUPAC1,1,1-trifluoro-3-(piperidin-1-ylamino)propan-2-ol
SMILESOC(CNN1CCCCC1)C(F)(F)F
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)7(14)6-12-13-4-2-1-3-5-13/h7,12,14H,1-6H2
InChIKeyGHXHOHQFZPUXPS-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.90
Rot. Bonds3

About 1,1,1-trifluoro-3-(piperidin-1-ylamino)propan-2-ol

1,1,1-trifluoro-3-(piperidin-1-ylamino)propan-2-ol (PubChem CID 83014818) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(piperidin-1-ylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(piperidin-1-ylamino)propan-2-ol
PubChem CID83014818
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name1,1,1-trifluoro-3-(piperidin-1-ylamino)propan-2-ol
SMILESOC(CNN1CCCCC1)C(F)(F)F
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)7(14)6-12-13-4-2-1-3-5-13/h7,12,14H,1-6H2
InChIKeyGHXHOHQFZPUXPS-UHFFFAOYSA-N
XLogP0.90
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(piperidin-1-ylamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(piperidin-1-ylamino)propan-2-ol (CID 83014818) is 1,1,1-trifluoro-3-(piperidin-1-ylamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(piperidin-1-ylamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(piperidin-1-ylamino)propan-2-ol is OC(CNN1CCCCC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(piperidin-1-ylamino)propan-2-ol?
The InChIKey is GHXHOHQFZPUXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c9-8(10,11)7(14)6-12-13-4-2-1-3-5-13/h7,12,14H,1-6H2.
What are the key properties of 1,1,1-trifluoro-3-(piperidin-1-ylamino)propan-2-ol?
1,1,1-trifluoro-3-(piperidin-1-ylamino)propan-2-ol has a molecular weight of 212.21 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(piperidin-1-ylamino)propan-2-ol is sourced from PubChem (CID 83014818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).