(3R,4S)-3-fluoro-4-methylpiperidin-4-ol

C6H12FNO — CID 90176710

IUPAC(3R,4S)-3-fluoro-4-methylpiperidin-4-ol
SMILESC[C@]1(O)CCNC[C@H]1F
InChIInChI=1S/C6H12FNO/c1-6(9)2-3-8-4-5(6)7/h5,8-9H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyRTWXDUHAJIXSQL-RITPCOANSA-N
MW133.17 g/mol
LogP0.07
Rot. Bonds

About (3R,4S)-3-fluoro-4-methylpiperidin-4-ol

(3R,4S)-3-fluoro-4-methylpiperidin-4-ol (PubChem CID 90176710) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is (3R,4S)-3-fluoro-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4S)-3-fluoro-4-methylpiperidin-4-ol
PubChem CID90176710
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name(3R,4S)-3-fluoro-4-methylpiperidin-4-ol
SMILESC[C@]1(O)CCNC[C@H]1F
InChIInChI=1S/C6H12FNO/c1-6(9)2-3-8-4-5(6)7/h5,8-9H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyRTWXDUHAJIXSQL-RITPCOANSA-N
XLogP0.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R,4S)-3-fluoro-4-methylpiperidin-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,4S)-3-fluoro-4-methylpiperidin-4-ol?
The IUPAC name of (3R,4S)-3-fluoro-4-methylpiperidin-4-ol (CID 90176710) is (3R,4S)-3-fluoro-4-methylpiperidin-4-ol.
What is the SMILES notation for (3R,4S)-3-fluoro-4-methylpiperidin-4-ol?
The canonical SMILES for (3R,4S)-3-fluoro-4-methylpiperidin-4-ol is C[C@]1(O)CCNC[C@H]1F.
What is the InChIKey of (3R,4S)-3-fluoro-4-methylpiperidin-4-ol?
The InChIKey is RTWXDUHAJIXSQL-RITPCOANSA-N. The full InChI is InChI=1S/C6H12FNO/c1-6(9)2-3-8-4-5(6)7/h5,8-9H,2-4H2,1H3/t5-,6+/m1/s1.
What are the key properties of (3R,4S)-3-fluoro-4-methylpiperidin-4-ol?
(3R,4S)-3-fluoro-4-methylpiperidin-4-ol has a molecular weight of 133.17 g/mol, XLogP of 0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-fluoro-4-methylpiperidin-4-ol is sourced from PubChem (CID 90176710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).