4-(2-fluoro-3-pyridinyl)-1-[[3-(4-methoxyphenyl)phenyl]methyl]piperidin-4-ol

C24H25FN2O2 — CID 95800962

IUPAC4-(2-fluoro-3-pyridinyl)-1-[[3-(4-methoxyphenyl)phenyl]methyl]piperidin-4-ol
SMILESCOc1ccc(-c2cccc(CN3CCC(O)(c4cccnc4F)CC3)c2)cc1
InChIInChI=1S/C24H25FN2O2/c1-29-21-9-7-19(8-10-21)20-5-2-4-18(16-20)17-27-14-11-24(28,12-15-27)22-6-3-13-26-23(22)25/h2-10,13,16,28H,11-12,14-15,17H2,1H3
InChIKeyOKFRFZPEOUYGAE-UHFFFAOYSA-N
MW392.47 g/mol
LogP4.38
Rot. Bonds5

About 4-(2-fluoro-3-pyridinyl)-1-[[3-(4-methoxyphenyl)phenyl]methyl]piperidin-4-ol

4-(2-fluoro-3-pyridinyl)-1-[[3-(4-methoxyphenyl)phenyl]methyl]piperidin-4-ol (PubChem CID 95800962) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 4-(2-fluoro-3-pyridinyl)-1-[[3-(4-methoxyphenyl)phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(2-fluoro-3-pyridinyl)-1-[[3-(4-methoxyphenyl)phenyl]methyl]piperidin-4-ol
PubChem CID95800962
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC Name4-(2-fluoro-3-pyridinyl)-1-[[3-(4-methoxyphenyl)phenyl]methyl]piperidin-4-ol
SMILESCOc1ccc(-c2cccc(CN3CCC(O)(c4cccnc4F)CC3)c2)cc1
InChIInChI=1S/C24H25FN2O2/c1-29-21-9-7-19(8-10-21)20-5-2-4-18(16-20)17-27-14-11-24(28,12-15-27)22-6-3-13-26-23(22)25/h2-10,13,16,28H,11-12,14-15,17H2,1H3
InChIKeyOKFRFZPEOUYGAE-UHFFFAOYSA-N
XLogP4.38
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-fluoro-3-pyridinyl)-1-[[3-(4-methoxyphenyl)phenyl]methyl]piperidin-4-ol?
The IUPAC name of 4-(2-fluoro-3-pyridinyl)-1-[[3-(4-methoxyphenyl)phenyl]methyl]piperidin-4-ol (CID 95800962) is 4-(2-fluoro-3-pyridinyl)-1-[[3-(4-methoxyphenyl)phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-(2-fluoro-3-pyridinyl)-1-[[3-(4-methoxyphenyl)phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 4-(2-fluoro-3-pyridinyl)-1-[[3-(4-methoxyphenyl)phenyl]methyl]piperidin-4-ol is COc1ccc(-c2cccc(CN3CCC(O)(c4cccnc4F)CC3)c2)cc1.
What is the InChIKey of 4-(2-fluoro-3-pyridinyl)-1-[[3-(4-methoxyphenyl)phenyl]methyl]piperidin-4-ol?
The InChIKey is OKFRFZPEOUYGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2/c1-29-21-9-7-19(8-10-21)20-5-2-4-18(16-20)17-27-14-11-24(28,12-15-27)22-6-3-13-26-23(22)25/h2-10,13,16,28H,11-12,14-15,17H2,1H3.
What are the key properties of 4-(2-fluoro-3-pyridinyl)-1-[[3-(4-methoxyphenyl)phenyl]methyl]piperidin-4-ol?
4-(2-fluoro-3-pyridinyl)-1-[[3-(4-methoxyphenyl)phenyl]methyl]piperidin-4-ol has a molecular weight of 392.47 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-pyridinyl)-1-[[3-(4-methoxyphenyl)phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 95800962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).