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'}

Analyze 2-piperidin-4-ylideneethanol;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(e)-2-(Piperidin-3-ylidene)acetic acid trifluoroacetic acid salt
CID 66682741
2-Piperidin-3-ylideneacetic acid;2,2,2-trifluoroacetic acid
CID 66682743
2-Piperidin-4-ylidenepropan-1-ol;2,2,2-trifluoroacetic acid
CID 68523338
2-Fluoro-2-(piperidin-3-ylidene)ethan-1-ol,trifluoroaceticacid
CID 68524027
2-Fluoro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid
CID 68524034
(2E)-2-Fluoro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid
CID 68525090
(2Z)-2-chloro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid
CID 68525092
2-Chloro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid
CID 68525103
2-Piperidin-4-ylideneethyl 2,2,2-trifluoroacetate
CID 68525261
2-Fluoro-2-piperidin-4-ylideneethanol;2,2,2-trifluoroacetic acid
CID 68690504
(1-Hydroxy-2-piperidin-4-ylideneethyl) 2,2,2-trifluoroacetate
CID 140492351
(2Z)-2-(3-fluoropiperidin-4-ylidene)acetic acid
CID 175401709

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).