4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidin-4-ol

C14H19F2NO3 — CID 86706610

IUPAC4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidin-4-ol
SMILESCOCCOc1cc(F)c(C2(O)CCNCC2)c(F)c1
InChIInChI=1S/C14H19F2NO3/c1-19-6-7-20-10-8-11(15)13(12(16)9-10)14(18)2-4-17-5-3-14/h8-9,17-18H,2-7H2,1H3
InChIKeyCVWFWZUVSLAOFK-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.56
Rot. Bonds5

About 4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidin-4-ol

4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidin-4-ol (PubChem CID 86706610) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidin-4-ol
PubChem CID86706610
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC Name4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidin-4-ol
SMILESCOCCOc1cc(F)c(C2(O)CCNCC2)c(F)c1
InChIInChI=1S/C14H19F2NO3/c1-19-6-7-20-10-8-11(15)13(12(16)9-10)14(18)2-4-17-5-3-14/h8-9,17-18H,2-7H2,1H3
InChIKeyCVWFWZUVSLAOFK-UHFFFAOYSA-N
XLogP1.56
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidin-4-ol?
The IUPAC name of 4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidin-4-ol (CID 86706610) is 4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidin-4-ol.
What is the SMILES notation for 4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidin-4-ol?
The canonical SMILES for 4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidin-4-ol is COCCOc1cc(F)c(C2(O)CCNCC2)c(F)c1.
What is the InChIKey of 4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidin-4-ol?
The InChIKey is CVWFWZUVSLAOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c1-19-6-7-20-10-8-11(15)13(12(16)9-10)14(18)2-4-17-5-3-14/h8-9,17-18H,2-7H2,1H3.
What are the key properties of 4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidin-4-ol?
4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidin-4-ol has a molecular weight of 287.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidin-4-ol is sourced from PubChem (CID 86706610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).