4-[(E)-3,3-difluoroprop-1-enyl]piperidin-4-ol

C8H13F2NO — CID 90418895

IUPAC4-[(E)-3,3-difluoroprop-1-enyl]piperidin-4-ol
SMILESOC1(/C=C/C(F)F)CCNCC1
InChIInChI=1S/C8H13F2NO/c9-7(10)1-2-8(12)3-5-11-6-4-8/h1-2,7,11-12H,3-6H2/b2-1+
InChIKeyKCMBNIPUINOLPW-OWOJBTEDSA-N
MW177.19 g/mol
LogP0.92
Rot. Bonds2

About 4-[(E)-3,3-difluoroprop-1-enyl]piperidin-4-ol

4-[(E)-3,3-difluoroprop-1-enyl]piperidin-4-ol (PubChem CID 90418895) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 4-[(E)-3,3-difluoroprop-1-enyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(E)-3,3-difluoroprop-1-enyl]piperidin-4-ol
PubChem CID90418895
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name4-[(E)-3,3-difluoroprop-1-enyl]piperidin-4-ol
SMILESOC1(/C=C/C(F)F)CCNCC1
InChIInChI=1S/C8H13F2NO/c9-7(10)1-2-8(12)3-5-11-6-4-8/h1-2,7,11-12H,3-6H2/b2-1+
InChIKeyKCMBNIPUINOLPW-OWOJBTEDSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 50.92
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)-3,3-difluoroprop-1-enyl]piperidin-4-ol?
The IUPAC name of 4-[(E)-3,3-difluoroprop-1-enyl]piperidin-4-ol (CID 90418895) is 4-[(E)-3,3-difluoroprop-1-enyl]piperidin-4-ol.
What is the SMILES notation for 4-[(E)-3,3-difluoroprop-1-enyl]piperidin-4-ol?
The canonical SMILES for 4-[(E)-3,3-difluoroprop-1-enyl]piperidin-4-ol is OC1(/C=C/C(F)F)CCNCC1.
What is the InChIKey of 4-[(E)-3,3-difluoroprop-1-enyl]piperidin-4-ol?
The InChIKey is KCMBNIPUINOLPW-OWOJBTEDSA-N. The full InChI is InChI=1S/C8H13F2NO/c9-7(10)1-2-8(12)3-5-11-6-4-8/h1-2,7,11-12H,3-6H2/b2-1+.
What are the key properties of 4-[(E)-3,3-difluoroprop-1-enyl]piperidin-4-ol?
4-[(E)-3,3-difluoroprop-1-enyl]piperidin-4-ol has a molecular weight of 177.19 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3,3-difluoroprop-1-enyl]piperidin-4-ol is sourced from PubChem (CID 90418895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).