1-(2-aminoethyl)-4-(trifluoromethyl)piperidin-4-ol

C8H15F3N2O — CID 121203305

IUPAC1-(2-aminoethyl)-4-(trifluoromethyl)piperidin-4-ol
SMILESNCCN1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)7(14)1-4-13(5-2-7)6-3-12/h14H,1-6,12H2
InChIKeyBMOKIQRRCVFODX-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.33
Rot. Bonds2

About 1-(2-aminoethyl)-4-(trifluoromethyl)piperidin-4-ol

1-(2-aminoethyl)-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 121203305) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 1-(2-aminoethyl)-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2-aminoethyl)-4-(trifluoromethyl)piperidin-4-ol
PubChem CID121203305
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name1-(2-aminoethyl)-4-(trifluoromethyl)piperidin-4-ol
SMILESNCCN1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)7(14)1-4-13(5-2-7)6-3-12/h14H,1-6,12H2
InChIKeyBMOKIQRRCVFODX-UHFFFAOYSA-N
XLogP0.33
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-(2-aminoethyl)-4-(trifluoromethyl)piperidin-4-ol (CID 121203305) is 1-(2-aminoethyl)-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-(2-aminoethyl)-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-(2-aminoethyl)-4-(trifluoromethyl)piperidin-4-ol is NCCN1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 1-(2-aminoethyl)-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is BMOKIQRRCVFODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c9-8(10,11)7(14)1-4-13(5-2-7)6-3-12/h14H,1-6,12H2.
What are the key properties of 1-(2-aminoethyl)-4-(trifluoromethyl)piperidin-4-ol?
1-(2-aminoethyl)-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 212.21 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 121203305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).