1-[(17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methyl]piperidin-4-ol

C23H26FNO2 — CID 68533688

IUPAC1-[(17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methyl]piperidin-4-ol
SMILESOC1CCN(CC2CC3c4ccccc4Cc4ccc(F)cc4C3O2)CC1
InChIInChI=1S/C23H26FNO2/c24-17-6-5-16-11-15-3-1-2-4-20(15)22-13-19(27-23(22)21(16)12-17)14-25-9-7-18(26)8-10-25/h1-6,12,18-19,22-23,26H,7-11,13-14H2
InChIKeyUXOQXBUGPBAIOT-UHFFFAOYSA-N
MW367.46 g/mol
LogP3.80
Rot. Bonds2

About 1-[(17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methyl]piperidin-4-ol

1-[(17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methyl]piperidin-4-ol (PubChem CID 68533688) has the molecular formula C23H26FNO2 and a molecular weight of 367.46 g/mol. Its IUPAC name is 1-[(17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methyl]piperidin-4-ol
PubChem CID68533688
Molecular FormulaC23H26FNO2
Molecular Weight367.46 g/mol
Exact Mass367.19
IUPAC Name1-[(17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methyl]piperidin-4-ol
SMILESOC1CCN(CC2CC3c4ccccc4Cc4ccc(F)cc4C3O2)CC1
InChIInChI=1S/C23H26FNO2/c24-17-6-5-16-11-15-3-1-2-4-20(15)22-13-19(27-23(22)21(16)12-17)14-25-9-7-18(26)8-10-25/h1-6,12,18-19,22-23,26H,7-11,13-14H2
InChIKeyUXOQXBUGPBAIOT-UHFFFAOYSA-N
XLogP3.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methyl]piperidin-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methyl]piperidin-4-ol (CID 68533688) is 1-[(17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methyl]piperidin-4-ol is OC1CCN(CC2CC3c4ccccc4Cc4ccc(F)cc4C3O2)CC1.
What is the InChIKey of 1-[(17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methyl]piperidin-4-ol?
The InChIKey is UXOQXBUGPBAIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO2/c24-17-6-5-16-11-15-3-1-2-4-20(15)22-13-19(27-23(22)21(16)12-17)14-25-9-7-18(26)8-10-25/h1-6,12,18-19,22-23,26H,7-11,13-14H2.
What are the key properties of 1-[(17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methyl]piperidin-4-ol?
1-[(17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methyl]piperidin-4-ol has a molecular weight of 367.46 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 68533688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).