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

C12H16FNO — CID 112562864

IUPAC4-[(3-fluoropiperidin-3-yl)methyl]phenol
SMILESOc1ccc(CC2(F)CCCNC2)cc1
InChIInChI=1S/C12H16FNO/c13-12(6-1-7-14-9-12)8-10-2-4-11(15)5-3-10/h2-5,14-15H,1,6-9H2
InChIKeyOMEGLHHCKUVIDU-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.03
Rot. Bonds2

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

4-[(3-fluoropiperidin-3-yl)methyl]phenol (PubChem CID 112562864) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 4-[(3-fluoropiperidin-3-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(3-fluoropiperidin-3-yl)methyl]phenol
PubChem CID112562864
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name4-[(3-fluoropiperidin-3-yl)methyl]phenol
SMILESOc1ccc(CC2(F)CCCNC2)cc1
InChIInChI=1S/C12H16FNO/c13-12(6-1-7-14-9-12)8-10-2-4-11(15)5-3-10/h2-5,14-15H,1,6-9H2
InChIKeyOMEGLHHCKUVIDU-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoropiperidin-3-yl)methyl]phenol?
The IUPAC name of 4-[(3-fluoropiperidin-3-yl)methyl]phenol (CID 112562864) is 4-[(3-fluoropiperidin-3-yl)methyl]phenol.
What is the SMILES notation for 4-[(3-fluoropiperidin-3-yl)methyl]phenol?
The canonical SMILES for 4-[(3-fluoropiperidin-3-yl)methyl]phenol is Oc1ccc(CC2(F)CCCNC2)cc1.
What is the InChIKey of 4-[(3-fluoropiperidin-3-yl)methyl]phenol?
The InChIKey is OMEGLHHCKUVIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-12(6-1-7-14-9-12)8-10-2-4-11(15)5-3-10/h2-5,14-15H,1,6-9H2.
What are the key properties of 4-[(3-fluoropiperidin-3-yl)methyl]phenol?
4-[(3-fluoropiperidin-3-yl)methyl]phenol has a molecular weight of 209.26 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoropiperidin-3-yl)methyl]phenol is sourced from PubChem (CID 112562864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).