2-(3-fluoro-1-methylpiperidin-4-yl)phenol

C12H16FNO — CID 83855916

IUPAC2-(3-fluoro-1-methylpiperidin-4-yl)phenol
SMILESCN1CCC(c2ccccc2O)C(F)C1
InChIInChI=1S/C12H16FNO/c1-14-7-6-9(11(13)8-14)10-4-2-3-5-12(10)15/h2-5,9,11,15H,6-8H2,1H3
InChIKeyJFGACCVFPFCOOT-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.15
Rot. Bonds1

About 2-(3-fluoro-1-methylpiperidin-4-yl)phenol

2-(3-fluoro-1-methylpiperidin-4-yl)phenol (PubChem CID 83855916) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-(3-fluoro-1-methylpiperidin-4-yl)phenol.

Molecular Properties

Compound Name2-(3-fluoro-1-methylpiperidin-4-yl)phenol
PubChem CID83855916
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-(3-fluoro-1-methylpiperidin-4-yl)phenol
SMILESCN1CCC(c2ccccc2O)C(F)C1
InChIInChI=1S/C12H16FNO/c1-14-7-6-9(11(13)8-14)10-4-2-3-5-12(10)15/h2-5,9,11,15H,6-8H2,1H3
InChIKeyJFGACCVFPFCOOT-UHFFFAOYSA-N
XLogP2.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-1-methylpiperidin-4-yl)phenol?
The IUPAC name of 2-(3-fluoro-1-methylpiperidin-4-yl)phenol (CID 83855916) is 2-(3-fluoro-1-methylpiperidin-4-yl)phenol.
What is the SMILES notation for 2-(3-fluoro-1-methylpiperidin-4-yl)phenol?
The canonical SMILES for 2-(3-fluoro-1-methylpiperidin-4-yl)phenol is CN1CCC(c2ccccc2O)C(F)C1.
What is the InChIKey of 2-(3-fluoro-1-methylpiperidin-4-yl)phenol?
The InChIKey is JFGACCVFPFCOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-14-7-6-9(11(13)8-14)10-4-2-3-5-12(10)15/h2-5,9,11,15H,6-8H2,1H3.
What are the key properties of 2-(3-fluoro-1-methylpiperidin-4-yl)phenol?
2-(3-fluoro-1-methylpiperidin-4-yl)phenol has a molecular weight of 209.26 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-1-methylpiperidin-4-yl)phenol is sourced from PubChem (CID 83855916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).