1-(2-fluoro-4-methylphenyl)piperidine-4,4-diol

C12H16FNO2 — CID 167308640

IUPAC1-(2-fluoro-4-methylphenyl)piperidine-4,4-diol
SMILESCc1ccc(N2CCC(O)(O)CC2)c(F)c1
InChIInChI=1S/C12H16FNO2/c1-9-2-3-11(10(13)8-9)14-6-4-12(15,16)5-7-14/h2-3,8,15-16H,4-7H2,1H3
InChIKeyDTBUUACSMNUWCV-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.42
Rot. Bonds1

About 1-(2-fluoro-4-methylphenyl)piperidine-4,4-diol

1-(2-fluoro-4-methylphenyl)piperidine-4,4-diol (PubChem CID 167308640) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)piperidine-4,4-diol.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)piperidine-4,4-diol
PubChem CID167308640
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name1-(2-fluoro-4-methylphenyl)piperidine-4,4-diol
SMILESCc1ccc(N2CCC(O)(O)CC2)c(F)c1
InChIInChI=1S/C12H16FNO2/c1-9-2-3-11(10(13)8-9)14-6-4-12(15,16)5-7-14/h2-3,8,15-16H,4-7H2,1H3
InChIKeyDTBUUACSMNUWCV-UHFFFAOYSA-N
XLogP1.42
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)piperidine-4,4-diol?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)piperidine-4,4-diol (CID 167308640) is 1-(2-fluoro-4-methylphenyl)piperidine-4,4-diol.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)piperidine-4,4-diol?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)piperidine-4,4-diol is Cc1ccc(N2CCC(O)(O)CC2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)piperidine-4,4-diol?
The InChIKey is DTBUUACSMNUWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-9-2-3-11(10(13)8-9)14-6-4-12(15,16)5-7-14/h2-3,8,15-16H,4-7H2,1H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)piperidine-4,4-diol?
1-(2-fluoro-4-methylphenyl)piperidine-4,4-diol has a molecular weight of 225.26 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)piperidine-4,4-diol is sourced from PubChem (CID 167308640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).