[(3R,4S)-3-fluoro-4-methoxypiperidin-4-yl]methanol

C7H14FNO2 — CID 89413910

IUPAC[(3R,4S)-3-fluoro-4-methoxypiperidin-4-yl]methanol
SMILESCO[C@]1(CO)CCNC[C@H]1F
InChIInChI=1S/C7H14FNO2/c1-11-7(5-10)2-3-9-4-6(7)8/h6,9-10H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyUXDLWMOGAJCMHP-RQJHMYQMSA-N
MW163.19 g/mol
LogP-0.30
Rot. Bonds2

About [(3R,4S)-3-fluoro-4-methoxypiperidin-4-yl]methanol

[(3R,4S)-3-fluoro-4-methoxypiperidin-4-yl]methanol (PubChem CID 89413910) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is [(3R,4S)-3-fluoro-4-methoxypiperidin-4-yl]methanol.

Molecular Properties

Compound Name[(3R,4S)-3-fluoro-4-methoxypiperidin-4-yl]methanol
PubChem CID89413910
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Name[(3R,4S)-3-fluoro-4-methoxypiperidin-4-yl]methanol
SMILESCO[C@]1(CO)CCNC[C@H]1F
InChIInChI=1S/C7H14FNO2/c1-11-7(5-10)2-3-9-4-6(7)8/h6,9-10H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyUXDLWMOGAJCMHP-RQJHMYQMSA-N
XLogP-0.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-fluoro-4-methoxypiperidin-4-yl]methanol?
The IUPAC name of [(3R,4S)-3-fluoro-4-methoxypiperidin-4-yl]methanol (CID 89413910) is [(3R,4S)-3-fluoro-4-methoxypiperidin-4-yl]methanol.
What is the SMILES notation for [(3R,4S)-3-fluoro-4-methoxypiperidin-4-yl]methanol?
The canonical SMILES for [(3R,4S)-3-fluoro-4-methoxypiperidin-4-yl]methanol is CO[C@]1(CO)CCNC[C@H]1F.
What is the InChIKey of [(3R,4S)-3-fluoro-4-methoxypiperidin-4-yl]methanol?
The InChIKey is UXDLWMOGAJCMHP-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H14FNO2/c1-11-7(5-10)2-3-9-4-6(7)8/h6,9-10H,2-5H2,1H3/t6-,7+/m1/s1.
What are the key properties of [(3R,4S)-3-fluoro-4-methoxypiperidin-4-yl]methanol?
[(3R,4S)-3-fluoro-4-methoxypiperidin-4-yl]methanol has a molecular weight of 163.19 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-fluoro-4-methoxypiperidin-4-yl]methanol is sourced from PubChem (CID 89413910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).