4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol

C9H14F3NO — CID 90447571

IUPAC4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol
SMILESOC1(/C=C/CC(F)(F)F)CCNCC1
InChIInChI=1S/C9H14F3NO/c10-9(11,12)3-1-2-8(14)4-6-13-7-5-8/h1-2,13-14H,3-7H2/b2-1+
InChIKeyUEYJMNFMNJQQST-OWOJBTEDSA-N
MW209.21 g/mol
LogP1.61
Rot. Bonds2

About 4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol

4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol (PubChem CID 90447571) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol
PubChem CID90447571
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol
SMILESOC1(/C=C/CC(F)(F)F)CCNCC1
InChIInChI=1S/C9H14F3NO/c10-9(11,12)3-1-2-8(14)4-6-13-7-5-8/h1-2,13-14H,3-7H2/b2-1+
InChIKeyUEYJMNFMNJQQST-OWOJBTEDSA-N
XLogP1.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol?
The IUPAC name of 4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol (CID 90447571) is 4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol.
What is the SMILES notation for 4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol?
The canonical SMILES for 4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol is OC1(/C=C/CC(F)(F)F)CCNCC1.
What is the InChIKey of 4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol?
The InChIKey is UEYJMNFMNJQQST-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H14F3NO/c10-9(11,12)3-1-2-8(14)4-6-13-7-5-8/h1-2,13-14H,3-7H2/b2-1+.
What are the key properties of 4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol?
4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol has a molecular weight of 209.21 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol is sourced from PubChem (CID 90447571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).