3-fluoro-1-hydroxy-3-prop-2-enylpiperidine

C8H14FNO — CID 123893077

IUPAC3-fluoro-1-hydroxy-3-prop-2-enylpiperidine
SMILESC=CCC1(F)CCCN(O)C1
InChIInChI=1S/C8H14FNO/c1-2-4-8(9)5-3-6-10(11)7-8/h2,11H,1,3-7H2
InChIKeyZRGVIONUXUQDPI-UHFFFAOYSA-N
MW159.20 g/mol
LogP1.76
Rot. Bonds2

About 3-fluoro-1-hydroxy-3-prop-2-enylpiperidine

3-fluoro-1-hydroxy-3-prop-2-enylpiperidine (PubChem CID 123893077) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 3-fluoro-1-hydroxy-3-prop-2-enylpiperidine.

Molecular Properties

Compound Name3-fluoro-1-hydroxy-3-prop-2-enylpiperidine
PubChem CID123893077
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name3-fluoro-1-hydroxy-3-prop-2-enylpiperidine
SMILESC=CCC1(F)CCCN(O)C1
InChIInChI=1S/C8H14FNO/c1-2-4-8(9)5-3-6-10(11)7-8/h2,11H,1,3-7H2
InChIKeyZRGVIONUXUQDPI-UHFFFAOYSA-N
XLogP1.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.76
H-Bond Donors ≤ 51
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 3-fluoro-1-hydroxy-3-prop-2-enylpiperidine?
The IUPAC name of 3-fluoro-1-hydroxy-3-prop-2-enylpiperidine (CID 123893077) is 3-fluoro-1-hydroxy-3-prop-2-enylpiperidine.
What is the SMILES notation for 3-fluoro-1-hydroxy-3-prop-2-enylpiperidine?
The canonical SMILES for 3-fluoro-1-hydroxy-3-prop-2-enylpiperidine is C=CCC1(F)CCCN(O)C1.
What is the InChIKey of 3-fluoro-1-hydroxy-3-prop-2-enylpiperidine?
The InChIKey is ZRGVIONUXUQDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-2-4-8(9)5-3-6-10(11)7-8/h2,11H,1,3-7H2.
What are the key properties of 3-fluoro-1-hydroxy-3-prop-2-enylpiperidine?
3-fluoro-1-hydroxy-3-prop-2-enylpiperidine has a molecular weight of 159.20 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-hydroxy-3-prop-2-enylpiperidine is sourced from PubChem (CID 123893077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).