4-[(3S)-3-fluoropiperidin-4-yl]phenol

C11H14FNO — CID 118225535

IUPAC4-[(3S)-3-fluoropiperidin-4-yl]phenol
SMILESOc1ccc(C2CCNC[C@H]2F)cc1
InChIInChI=1S/C11H14FNO/c12-11-7-13-6-5-10(11)8-1-3-9(14)4-2-8/h1-4,10-11,13-14H,5-7H2/t10?,11-/m1/s1
InChIKeyHGAPKINVUOUWJG-RRKGBCIJSA-N
MW195.24 g/mol
LogP1.81
Rot. Bonds1

About 4-[(3S)-3-fluoropiperidin-4-yl]phenol

4-[(3S)-3-fluoropiperidin-4-yl]phenol (PubChem CID 118225535) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-[(3S)-3-fluoropiperidin-4-yl]phenol.

Molecular Properties

Compound Name4-[(3S)-3-fluoropiperidin-4-yl]phenol
PubChem CID118225535
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name4-[(3S)-3-fluoropiperidin-4-yl]phenol
SMILESOc1ccc(C2CCNC[C@H]2F)cc1
InChIInChI=1S/C11H14FNO/c12-11-7-13-6-5-10(11)8-1-3-9(14)4-2-8/h1-4,10-11,13-14H,5-7H2/t10?,11-/m1/s1
InChIKeyHGAPKINVUOUWJG-RRKGBCIJSA-N
XLogP1.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-fluoropiperidin-4-yl]phenol?
The IUPAC name of 4-[(3S)-3-fluoropiperidin-4-yl]phenol (CID 118225535) is 4-[(3S)-3-fluoropiperidin-4-yl]phenol.
What is the SMILES notation for 4-[(3S)-3-fluoropiperidin-4-yl]phenol?
The canonical SMILES for 4-[(3S)-3-fluoropiperidin-4-yl]phenol is Oc1ccc(C2CCNC[C@H]2F)cc1.
What is the InChIKey of 4-[(3S)-3-fluoropiperidin-4-yl]phenol?
The InChIKey is HGAPKINVUOUWJG-RRKGBCIJSA-N. The full InChI is InChI=1S/C11H14FNO/c12-11-7-13-6-5-10(11)8-1-3-9(14)4-2-8/h1-4,10-11,13-14H,5-7H2/t10?,11-/m1/s1.
What are the key properties of 4-[(3S)-3-fluoropiperidin-4-yl]phenol?
4-[(3S)-3-fluoropiperidin-4-yl]phenol has a molecular weight of 195.24 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-fluoropiperidin-4-yl]phenol is sourced from PubChem (CID 118225535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).