(2S,3S)-5-(18F)fluoro-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol

C21H24FNO — CID 170928333

IUPAC(2S,3S)-5-(18F)fluoro-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESO[C@H]1Cc2cccc([18F])c2CC1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C21H24FNO/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14H2/t20?,21-/m0/s1/i22-1
InChIKeyKGLFODKWSQEXFG-OYICZFOISA-N
MW324.43 g/mol
LogP3.53
Rot. Bonds2

About (2S,3S)-5-(18F)fluoro-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol

(2S,3S)-5-(18F)fluoro-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 170928333) has the molecular formula C21H24FNO and a molecular weight of 324.43 g/mol. Its IUPAC name is (2S,3S)-5-(18F)fluoro-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(2S,3S)-5-(18F)fluoro-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID170928333
Molecular FormulaC21H24FNO
Molecular Weight324.43 g/mol
Exact Mass324.19
IUPAC Name(2S,3S)-5-(18F)fluoro-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESO[C@H]1Cc2cccc([18F])c2CC1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C21H24FNO/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14H2/t20?,21-/m0/s1/i22-1
InChIKeyKGLFODKWSQEXFG-OYICZFOISA-N
XLogP3.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-5-(18F)fluoro-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of (2S,3S)-5-(18F)fluoro-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol (CID 170928333) is (2S,3S)-5-(18F)fluoro-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (2S,3S)-5-(18F)fluoro-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for (2S,3S)-5-(18F)fluoro-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol is O[C@H]1Cc2cccc([18F])c2CC1N1CCC(c2ccccc2)CC1.
What is the InChIKey of (2S,3S)-5-(18F)fluoro-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is KGLFODKWSQEXFG-OYICZFOISA-N. The full InChI is InChI=1S/C21H24FNO/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14H2/t20?,21-/m0/s1/i22-1.
What are the key properties of (2S,3S)-5-(18F)fluoro-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
(2S,3S)-5-(18F)fluoro-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 324.43 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-5-(18F)fluoro-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 170928333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).