2-[(3R,4R,5S)-4-fluoro-5-methylpiperidin-3-yl]ethanol

C8H16FNO — CID 167458502

IUPAC2-[(3R,4R,5S)-4-fluoro-5-methylpiperidin-3-yl]ethanol
SMILESC[C@H]1CNC[C@@H](CCO)[C@@H]1F
InChIInChI=1S/C8H16FNO/c1-6-4-10-5-7(2-3-11)8(6)9/h6-8,10-11H,2-5H2,1H3/t6-,7+,8+/m0/s1
InChIKeyMGGIBMOWCWVIMK-XLPZGREQSA-N
MW161.22 g/mol
LogP0.56
Rot. Bonds2

About 2-[(3R,4R,5S)-4-fluoro-5-methylpiperidin-3-yl]ethanol

2-[(3R,4R,5S)-4-fluoro-5-methylpiperidin-3-yl]ethanol (PubChem CID 167458502) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 2-[(3R,4R,5S)-4-fluoro-5-methylpiperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[(3R,4R,5S)-4-fluoro-5-methylpiperidin-3-yl]ethanol
PubChem CID167458502
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name2-[(3R,4R,5S)-4-fluoro-5-methylpiperidin-3-yl]ethanol
SMILESC[C@H]1CNC[C@@H](CCO)[C@@H]1F
InChIInChI=1S/C8H16FNO/c1-6-4-10-5-7(2-3-11)8(6)9/h6-8,10-11H,2-5H2,1H3/t6-,7+,8+/m0/s1
InChIKeyMGGIBMOWCWVIMK-XLPZGREQSA-N
XLogP0.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R,5S)-4-fluoro-5-methylpiperidin-3-yl]ethanol?
The IUPAC name of 2-[(3R,4R,5S)-4-fluoro-5-methylpiperidin-3-yl]ethanol (CID 167458502) is 2-[(3R,4R,5S)-4-fluoro-5-methylpiperidin-3-yl]ethanol.
What is the SMILES notation for 2-[(3R,4R,5S)-4-fluoro-5-methylpiperidin-3-yl]ethanol?
The canonical SMILES for 2-[(3R,4R,5S)-4-fluoro-5-methylpiperidin-3-yl]ethanol is C[C@H]1CNC[C@@H](CCO)[C@@H]1F.
What is the InChIKey of 2-[(3R,4R,5S)-4-fluoro-5-methylpiperidin-3-yl]ethanol?
The InChIKey is MGGIBMOWCWVIMK-XLPZGREQSA-N. The full InChI is InChI=1S/C8H16FNO/c1-6-4-10-5-7(2-3-11)8(6)9/h6-8,10-11H,2-5H2,1H3/t6-,7+,8+/m0/s1.
What are the key properties of 2-[(3R,4R,5S)-4-fluoro-5-methylpiperidin-3-yl]ethanol?
2-[(3R,4R,5S)-4-fluoro-5-methylpiperidin-3-yl]ethanol has a molecular weight of 161.22 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R,5S)-4-fluoro-5-methylpiperidin-3-yl]ethanol is sourced from PubChem (CID 167458502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).