ethane;piperidin-4-ylmethanol;2,2,2-trifluoroacetic acid

C10H20F3NO3 — CID 142218465

IUPACethane;piperidin-4-ylmethanol;2,2,2-trifluoroacetic acid
SMILESCC.O=C(O)C(F)(F)F.OCC1CCNCC1
InChIInChI=1S/C6H13NO.C2HF3O2.C2H6/c8-5-6-1-3-7-4-2-6;3-2(4,5)1(6)7;1-2/h6-8H,1-5H2;(H,6,7);1-2H3
InChIKeyOGEXOAXZMSNGSD-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.64
Rot. Bonds1

About ethane;piperidin-4-ylmethanol;2,2,2-trifluoroacetic acid

ethane;piperidin-4-ylmethanol;2,2,2-trifluoroacetic acid (PubChem CID 142218465) has the molecular formula C10H20F3NO3 and a molecular weight of 259.27 g/mol. Its IUPAC name is ethane;piperidin-4-ylmethanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameethane;piperidin-4-ylmethanol;2,2,2-trifluoroacetic acid
PubChem CID142218465
Molecular FormulaC10H20F3NO3
Molecular Weight259.27 g/mol
Exact Mass259.14
IUPAC Nameethane;piperidin-4-ylmethanol;2,2,2-trifluoroacetic acid
SMILESCC.O=C(O)C(F)(F)F.OCC1CCNCC1
InChIInChI=1S/C6H13NO.C2HF3O2.C2H6/c8-5-6-1-3-7-4-2-6;3-2(4,5)1(6)7;1-2/h6-8H,1-5H2;(H,6,7);1-2H3
InChIKeyOGEXOAXZMSNGSD-UHFFFAOYSA-N
XLogP1.64
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;piperidin-4-ylmethanol;2,2,2-trifluoroacetic acid?
The IUPAC name of ethane;piperidin-4-ylmethanol;2,2,2-trifluoroacetic acid (CID 142218465) is ethane;piperidin-4-ylmethanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for ethane;piperidin-4-ylmethanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for ethane;piperidin-4-ylmethanol;2,2,2-trifluoroacetic acid is CC.O=C(O)C(F)(F)F.OCC1CCNCC1.
What is the InChIKey of ethane;piperidin-4-ylmethanol;2,2,2-trifluoroacetic acid?
The InChIKey is OGEXOAXZMSNGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C2HF3O2.C2H6/c8-5-6-1-3-7-4-2-6;3-2(4,5)1(6)7;1-2/h6-8H,1-5H2;(H,6,7);1-2H3.
What are the key properties of ethane;piperidin-4-ylmethanol;2,2,2-trifluoroacetic acid?
ethane;piperidin-4-ylmethanol;2,2,2-trifluoroacetic acid has a molecular weight of 259.27 g/mol, XLogP of 1.64, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;piperidin-4-ylmethanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 142218465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).