2-piperidin-4-ylidenepropan-1-ol;2,2,2-trifluoroacetic acid

C10H16F3NO3 — CID 68523338

IUPAC2-piperidin-4-ylidenepropan-1-ol;2,2,2-trifluoroacetic acid
SMILESCC(CO)=C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H15NO.C2HF3O2/c1-7(6-10)8-2-4-9-5-3-8;3-2(4,5)1(6)7/h9-10H,2-6H2,1H3;(H,6,7)
InChIKeyHOUWFKFWIOPSSG-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.31
Rot. Bonds1

About 2-piperidin-4-ylidenepropan-1-ol;2,2,2-trifluoroacetic acid

2-piperidin-4-ylidenepropan-1-ol;2,2,2-trifluoroacetic acid (PubChem CID 68523338) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-piperidin-4-ylidenepropan-1-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-piperidin-4-ylidenepropan-1-ol;2,2,2-trifluoroacetic acid
PubChem CID68523338
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name2-piperidin-4-ylidenepropan-1-ol;2,2,2-trifluoroacetic acid
SMILESCC(CO)=C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H15NO.C2HF3O2/c1-7(6-10)8-2-4-9-5-3-8;3-2(4,5)1(6)7/h9-10H,2-6H2,1H3;(H,6,7)
InChIKeyHOUWFKFWIOPSSG-UHFFFAOYSA-N
XLogP1.31
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylidenepropan-1-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-piperidin-4-ylidenepropan-1-ol;2,2,2-trifluoroacetic acid (CID 68523338) is 2-piperidin-4-ylidenepropan-1-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-piperidin-4-ylidenepropan-1-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-piperidin-4-ylidenepropan-1-ol;2,2,2-trifluoroacetic acid is CC(CO)=C1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-piperidin-4-ylidenepropan-1-ol;2,2,2-trifluoroacetic acid?
The InChIKey is HOUWFKFWIOPSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C2HF3O2/c1-7(6-10)8-2-4-9-5-3-8;3-2(4,5)1(6)7/h9-10H,2-6H2,1H3;(H,6,7).
What are the key properties of 2-piperidin-4-ylidenepropan-1-ol;2,2,2-trifluoroacetic acid?
2-piperidin-4-ylidenepropan-1-ol;2,2,2-trifluoroacetic acid has a molecular weight of 255.24 g/mol, XLogP of 1.31, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylidenepropan-1-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68523338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).