4-(4-amino-2,6-difluorophenyl)-1-methylpiperidin-4-ol

C12H16F2N2O — CID 22996134

IUPAC4-(4-amino-2,6-difluorophenyl)-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2c(F)cc(N)cc2F)CC1
InChIInChI=1S/C12H16F2N2O/c1-16-4-2-12(17,3-5-16)11-9(13)6-8(15)7-10(11)14/h6-7,17H,2-5,15H2,1H3
InChIKeyOXLJPUBJLLFHLX-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.46
Rot. Bonds1

About 4-(4-amino-2,6-difluorophenyl)-1-methylpiperidin-4-ol

4-(4-amino-2,6-difluorophenyl)-1-methylpiperidin-4-ol (PubChem CID 22996134) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-(4-amino-2,6-difluorophenyl)-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-(4-amino-2,6-difluorophenyl)-1-methylpiperidin-4-ol
PubChem CID22996134
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name4-(4-amino-2,6-difluorophenyl)-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2c(F)cc(N)cc2F)CC1
InChIInChI=1S/C12H16F2N2O/c1-16-4-2-12(17,3-5-16)11-9(13)6-8(15)7-10(11)14/h6-7,17H,2-5,15H2,1H3
InChIKeyOXLJPUBJLLFHLX-UHFFFAOYSA-N
XLogP1.46
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2,6-difluorophenyl)-1-methylpiperidin-4-ol?
The IUPAC name of 4-(4-amino-2,6-difluorophenyl)-1-methylpiperidin-4-ol (CID 22996134) is 4-(4-amino-2,6-difluorophenyl)-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-(4-amino-2,6-difluorophenyl)-1-methylpiperidin-4-ol?
The canonical SMILES for 4-(4-amino-2,6-difluorophenyl)-1-methylpiperidin-4-ol is CN1CCC(O)(c2c(F)cc(N)cc2F)CC1.
What is the InChIKey of 4-(4-amino-2,6-difluorophenyl)-1-methylpiperidin-4-ol?
The InChIKey is OXLJPUBJLLFHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-16-4-2-12(17,3-5-16)11-9(13)6-8(15)7-10(11)14/h6-7,17H,2-5,15H2,1H3.
What are the key properties of 4-(4-amino-2,6-difluorophenyl)-1-methylpiperidin-4-ol?
4-(4-amino-2,6-difluorophenyl)-1-methylpiperidin-4-ol has a molecular weight of 242.27 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2,6-difluorophenyl)-1-methylpiperidin-4-ol is sourced from PubChem (CID 22996134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).