4-(6-fluoro-5-methoxy-2-pyridinyl)-1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]piperidin-4-ol

C20H25FN2O4 — CID 11372311

IUPAC4-(6-fluoro-5-methoxy-2-pyridinyl)-1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]piperidin-4-ol
SMILESCOc1ccc(C2(O)CCN(CC(O)c3ccc(O)c(C)c3)CC2)nc1F
InChIInChI=1S/C20H25FN2O4/c1-13-11-14(3-4-15(13)24)16(25)12-23-9-7-20(26,8-10-23)18-6-5-17(27-2)19(21)22-18/h3-6,11,16,24-26H,7-10,12H2,1-2H3
InChIKeyOGJQZGDLGHFAOM-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.26
Rot. Bonds5

About 4-(6-fluoro-5-methoxy-2-pyridinyl)-1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]piperidin-4-ol

4-(6-fluoro-5-methoxy-2-pyridinyl)-1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]piperidin-4-ol (PubChem CID 11372311) has the molecular formula C20H25FN2O4 and a molecular weight of 376.43 g/mol. Its IUPAC name is 4-(6-fluoro-5-methoxy-2-pyridinyl)-1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(6-fluoro-5-methoxy-2-pyridinyl)-1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]piperidin-4-ol
PubChem CID11372311
Molecular FormulaC20H25FN2O4
Molecular Weight376.43 g/mol
Exact Mass376.18
IUPAC Name4-(6-fluoro-5-methoxy-2-pyridinyl)-1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]piperidin-4-ol
SMILESCOc1ccc(C2(O)CCN(CC(O)c3ccc(O)c(C)c3)CC2)nc1F
InChIInChI=1S/C20H25FN2O4/c1-13-11-14(3-4-15(13)24)16(25)12-23-9-7-20(26,8-10-23)18-6-5-17(27-2)19(21)22-18/h3-6,11,16,24-26H,7-10,12H2,1-2H3
InChIKeyOGJQZGDLGHFAOM-UHFFFAOYSA-N
XLogP2.26
TPSA86.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-5-methoxy-2-pyridinyl)-1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]piperidin-4-ol?
The IUPAC name of 4-(6-fluoro-5-methoxy-2-pyridinyl)-1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]piperidin-4-ol (CID 11372311) is 4-(6-fluoro-5-methoxy-2-pyridinyl)-1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]piperidin-4-ol.
What is the SMILES notation for 4-(6-fluoro-5-methoxy-2-pyridinyl)-1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]piperidin-4-ol?
The canonical SMILES for 4-(6-fluoro-5-methoxy-2-pyridinyl)-1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]piperidin-4-ol is COc1ccc(C2(O)CCN(CC(O)c3ccc(O)c(C)c3)CC2)nc1F.
What is the InChIKey of 4-(6-fluoro-5-methoxy-2-pyridinyl)-1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]piperidin-4-ol?
The InChIKey is OGJQZGDLGHFAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4/c1-13-11-14(3-4-15(13)24)16(25)12-23-9-7-20(26,8-10-23)18-6-5-17(27-2)19(21)22-18/h3-6,11,16,24-26H,7-10,12H2,1-2H3.
What are the key properties of 4-(6-fluoro-5-methoxy-2-pyridinyl)-1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]piperidin-4-ol?
4-(6-fluoro-5-methoxy-2-pyridinyl)-1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]piperidin-4-ol has a molecular weight of 376.43 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-5-methoxy-2-pyridinyl)-1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]piperidin-4-ol is sourced from PubChem (CID 11372311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).