2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-4-yl]oxyethanol

C11H21F3N2O2 — CID 103366429

IUPAC2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-4-yl]oxyethanol
SMILESNCC(CN1CCC(OCCO)CC1)C(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c12-11(13,14)9(7-15)8-16-3-1-10(2-4-16)18-6-5-17/h9-10,17H,1-8,15H2
InChIKeyGSRUVCSMXGAOTK-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.60
Rot. Bonds6

About 2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-4-yl]oxyethanol

2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-4-yl]oxyethanol (PubChem CID 103366429) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-4-yl]oxyethanol
PubChem CID103366429
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC Name2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-4-yl]oxyethanol
SMILESNCC(CN1CCC(OCCO)CC1)C(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c12-11(13,14)9(7-15)8-16-3-1-10(2-4-16)18-6-5-17/h9-10,17H,1-8,15H2
InChIKeyGSRUVCSMXGAOTK-UHFFFAOYSA-N
XLogP0.60
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-4-yl]oxyethanol (CID 103366429) is 2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-4-yl]oxyethanol is NCC(CN1CCC(OCCO)CC1)C(F)(F)F.
What is the InChIKey of 2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-4-yl]oxyethanol?
The InChIKey is GSRUVCSMXGAOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c12-11(13,14)9(7-15)8-16-3-1-10(2-4-16)18-6-5-17/h9-10,17H,1-8,15H2.
What are the key properties of 2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-4-yl]oxyethanol?
2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-4-yl]oxyethanol has a molecular weight of 270.29 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 103366429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).