(3S,4S)-4-(4-fluorophenoxy)piperidin-3-ol

C11H14FNO2 — CID 54555250

IUPAC(3S,4S)-4-(4-fluorophenoxy)piperidin-3-ol
SMILESO[C@H]1CNCC[C@@H]1Oc1ccc(F)cc1
InChIInChI=1S/C11H14FNO2/c12-8-1-3-9(4-2-8)15-11-5-6-13-7-10(11)14/h1-4,10-11,13-14H,5-7H2/t10-,11-/m0/s1
InChIKeyZMSKMBOSARRYBE-QWRGUYRKSA-N
MW211.24 g/mol
LogP0.93
Rot. Bonds2

About (3S,4S)-4-(4-fluorophenoxy)piperidin-3-ol

(3S,4S)-4-(4-fluorophenoxy)piperidin-3-ol (PubChem CID 54555250) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is (3S,4S)-4-(4-fluorophenoxy)piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(4-fluorophenoxy)piperidin-3-ol
PubChem CID54555250
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name(3S,4S)-4-(4-fluorophenoxy)piperidin-3-ol
SMILESO[C@H]1CNCC[C@@H]1Oc1ccc(F)cc1
InChIInChI=1S/C11H14FNO2/c12-8-1-3-9(4-2-8)15-11-5-6-13-7-10(11)14/h1-4,10-11,13-14H,5-7H2/t10-,11-/m0/s1
InChIKeyZMSKMBOSARRYBE-QWRGUYRKSA-N
XLogP0.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(4-fluorophenoxy)piperidin-3-ol?
The IUPAC name of (3S,4S)-4-(4-fluorophenoxy)piperidin-3-ol (CID 54555250) is (3S,4S)-4-(4-fluorophenoxy)piperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-(4-fluorophenoxy)piperidin-3-ol?
The canonical SMILES for (3S,4S)-4-(4-fluorophenoxy)piperidin-3-ol is O[C@H]1CNCC[C@@H]1Oc1ccc(F)cc1.
What is the InChIKey of (3S,4S)-4-(4-fluorophenoxy)piperidin-3-ol?
The InChIKey is ZMSKMBOSARRYBE-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H14FNO2/c12-8-1-3-9(4-2-8)15-11-5-6-13-7-10(11)14/h1-4,10-11,13-14H,5-7H2/t10-,11-/m0/s1.
What are the key properties of (3S,4S)-4-(4-fluorophenoxy)piperidin-3-ol?
(3S,4S)-4-(4-fluorophenoxy)piperidin-3-ol has a molecular weight of 211.24 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(4-fluorophenoxy)piperidin-3-ol is sourced from PubChem (CID 54555250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).