4-(3,5-dimethoxyphenyl)-1-(6-fluoro-2-pyridinyl)piperidin-4-ol

C18H21FN2O3 — CID 133362438

IUPAC4-(3,5-dimethoxyphenyl)-1-(6-fluoro-2-pyridinyl)piperidin-4-ol
SMILESCOc1cc(OC)cc(C2(O)CCN(c3cccc(F)n3)CC2)c1
InChIInChI=1S/C18H21FN2O3/c1-23-14-10-13(11-15(12-14)24-2)18(22)6-8-21(9-7-18)17-5-3-4-16(19)20-17/h3-5,10-12,22H,6-9H2,1-2H3
InChIKeyIIZGFHVESIZVRT-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.73
Rot. Bonds4

About 4-(3,5-dimethoxyphenyl)-1-(6-fluoro-2-pyridinyl)piperidin-4-ol

4-(3,5-dimethoxyphenyl)-1-(6-fluoro-2-pyridinyl)piperidin-4-ol (PubChem CID 133362438) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)-1-(6-fluoro-2-pyridinyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)-1-(6-fluoro-2-pyridinyl)piperidin-4-ol
PubChem CID133362438
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name4-(3,5-dimethoxyphenyl)-1-(6-fluoro-2-pyridinyl)piperidin-4-ol
SMILESCOc1cc(OC)cc(C2(O)CCN(c3cccc(F)n3)CC2)c1
InChIInChI=1S/C18H21FN2O3/c1-23-14-10-13(11-15(12-14)24-2)18(22)6-8-21(9-7-18)17-5-3-4-16(19)20-17/h3-5,10-12,22H,6-9H2,1-2H3
InChIKeyIIZGFHVESIZVRT-UHFFFAOYSA-N
XLogP2.73
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3,5-dimethoxyphenyl)-1-(6-fluoro-2-pyridinyl)piperidin-4-ol?
The IUPAC name of 4-(3,5-dimethoxyphenyl)-1-(6-fluoro-2-pyridinyl)piperidin-4-ol (CID 133362438) is 4-(3,5-dimethoxyphenyl)-1-(6-fluoro-2-pyridinyl)piperidin-4-ol.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)-1-(6-fluoro-2-pyridinyl)piperidin-4-ol?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)-1-(6-fluoro-2-pyridinyl)piperidin-4-ol is COc1cc(OC)cc(C2(O)CCN(c3cccc(F)n3)CC2)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)-1-(6-fluoro-2-pyridinyl)piperidin-4-ol?
The InChIKey is IIZGFHVESIZVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-23-14-10-13(11-15(12-14)24-2)18(22)6-8-21(9-7-18)17-5-3-4-16(19)20-17/h3-5,10-12,22H,6-9H2,1-2H3.
What are the key properties of 4-(3,5-dimethoxyphenyl)-1-(6-fluoro-2-pyridinyl)piperidin-4-ol?
4-(3,5-dimethoxyphenyl)-1-(6-fluoro-2-pyridinyl)piperidin-4-ol has a molecular weight of 332.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenyl)-1-(6-fluoro-2-pyridinyl)piperidin-4-ol is sourced from PubChem (CID 133362438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).