4-(2,5-difluorophenyl)-1-methylpiperidin-4-ol

C12H15F2NO — CID 12694024

IUPAC4-(2,5-difluorophenyl)-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2cc(F)ccc2F)CC1
InChIInChI=1S/C12H15F2NO/c1-15-6-4-12(16,5-7-15)10-8-9(13)2-3-11(10)14/h2-3,8,16H,4-7H2,1H3
InChIKeyVKOARTZZDBBIGG-UHFFFAOYSA-N
MW227.25 g/mol
LogP1.88
Rot. Bonds1

About 4-(2,5-difluorophenyl)-1-methylpiperidin-4-ol

4-(2,5-difluorophenyl)-1-methylpiperidin-4-ol (PubChem CID 12694024) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-1-methylpiperidin-4-ol
PubChem CID12694024
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name4-(2,5-difluorophenyl)-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2cc(F)ccc2F)CC1
InChIInChI=1S/C12H15F2NO/c1-15-6-4-12(16,5-7-15)10-8-9(13)2-3-11(10)14/h2-3,8,16H,4-7H2,1H3
InChIKeyVKOARTZZDBBIGG-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-1-methylpiperidin-4-ol?
The IUPAC name of 4-(2,5-difluorophenyl)-1-methylpiperidin-4-ol (CID 12694024) is 4-(2,5-difluorophenyl)-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-(2,5-difluorophenyl)-1-methylpiperidin-4-ol?
The canonical SMILES for 4-(2,5-difluorophenyl)-1-methylpiperidin-4-ol is CN1CCC(O)(c2cc(F)ccc2F)CC1.
What is the InChIKey of 4-(2,5-difluorophenyl)-1-methylpiperidin-4-ol?
The InChIKey is VKOARTZZDBBIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-15-6-4-12(16,5-7-15)10-8-9(13)2-3-11(10)14/h2-3,8,16H,4-7H2,1H3.
What are the key properties of 4-(2,5-difluorophenyl)-1-methylpiperidin-4-ol?
4-(2,5-difluorophenyl)-1-methylpiperidin-4-ol has a molecular weight of 227.25 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-1-methylpiperidin-4-ol is sourced from PubChem (CID 12694024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).