2-piperidin-4-ylideneethanol;2,2,2-trifluoroacetic acid

C9H14F3NO3 — CID 68525260

IUPAC2-piperidin-4-ylideneethanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OCC=C1CCNCC1
InChIInChI=1S/C7H13NO.C2HF3O2/c9-6-3-7-1-4-8-5-2-7;3-2(4,5)1(6)7/h3,8-9H,1-2,4-6H2;(H,6,7)
InChIKeySBDJCTVYCKOMTC-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.92
Rot. Bonds1

About 2-piperidin-4-ylideneethanol;2,2,2-trifluoroacetic acid

2-piperidin-4-ylideneethanol;2,2,2-trifluoroacetic acid (PubChem CID 68525260) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2-piperidin-4-ylideneethanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-piperidin-4-ylideneethanol;2,2,2-trifluoroacetic acid
PubChem CID68525260
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name2-piperidin-4-ylideneethanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OCC=C1CCNCC1
InChIInChI=1S/C7H13NO.C2HF3O2/c9-6-3-7-1-4-8-5-2-7;3-2(4,5)1(6)7/h3,8-9H,1-2,4-6H2;(H,6,7)
InChIKeySBDJCTVYCKOMTC-UHFFFAOYSA-N
XLogP0.92
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.92
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-ylideneethanol;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-piperidin-4-ylideneethanol;2,2,2-trifluoroacetic acid (CID 68525260) is 2-piperidin-4-ylideneethanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-piperidin-4-ylideneethanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-piperidin-4-ylideneethanol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.OCC=C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylideneethanol;2,2,2-trifluoroacetic acid?
The InChIKey is SBDJCTVYCKOMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C2HF3O2/c9-6-3-7-1-4-8-5-2-7;3-2(4,5)1(6)7/h3,8-9H,1-2,4-6H2;(H,6,7).
What are the key properties of 2-piperidin-4-ylideneethanol;2,2,2-trifluoroacetic acid?
2-piperidin-4-ylideneethanol;2,2,2-trifluoroacetic acid has a molecular weight of 241.21 g/mol, XLogP of 0.92, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylideneethanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68525260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).