(3R,4R)-4-ethenyl-3-fluoropiperidin-4-ol

C7H12FNO — CID 156549721

IUPAC(3R,4R)-4-ethenyl-3-fluoropiperidin-4-ol
SMILESC=C[C@]1(O)CCNC[C@H]1F
InChIInChI=1S/C7H12FNO/c1-2-7(10)3-4-9-5-6(7)8/h2,6,9-10H,1,3-5H2/t6-,7+/m1/s1
InChIKeyZQQXSFMXDIIEGN-RQJHMYQMSA-N
MW145.18 g/mol
LogP0.23
Rot. Bonds1

About (3R,4R)-4-ethenyl-3-fluoropiperidin-4-ol

(3R,4R)-4-ethenyl-3-fluoropiperidin-4-ol (PubChem CID 156549721) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is (3R,4R)-4-ethenyl-3-fluoropiperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-4-ethenyl-3-fluoropiperidin-4-ol
PubChem CID156549721
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name(3R,4R)-4-ethenyl-3-fluoropiperidin-4-ol
SMILESC=C[C@]1(O)CCNC[C@H]1F
InChIInChI=1S/C7H12FNO/c1-2-7(10)3-4-9-5-6(7)8/h2,6,9-10H,1,3-5H2/t6-,7+/m1/s1
InChIKeyZQQXSFMXDIIEGN-RQJHMYQMSA-N
XLogP0.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R,4R)-4-ethenyl-3-fluoropiperidin-4-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-ethenyl-3-fluoropiperidin-4-ol?
The IUPAC name of (3R,4R)-4-ethenyl-3-fluoropiperidin-4-ol (CID 156549721) is (3R,4R)-4-ethenyl-3-fluoropiperidin-4-ol.
What is the SMILES notation for (3R,4R)-4-ethenyl-3-fluoropiperidin-4-ol?
The canonical SMILES for (3R,4R)-4-ethenyl-3-fluoropiperidin-4-ol is C=C[C@]1(O)CCNC[C@H]1F.
What is the InChIKey of (3R,4R)-4-ethenyl-3-fluoropiperidin-4-ol?
The InChIKey is ZQQXSFMXDIIEGN-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H12FNO/c1-2-7(10)3-4-9-5-6(7)8/h2,6,9-10H,1,3-5H2/t6-,7+/m1/s1.
What are the key properties of (3R,4R)-4-ethenyl-3-fluoropiperidin-4-ol?
(3R,4R)-4-ethenyl-3-fluoropiperidin-4-ol has a molecular weight of 145.18 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-ethenyl-3-fluoropiperidin-4-ol is sourced from PubChem (CID 156549721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).