(2S,3S)-8-iodo-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol

C21H24INO — CID 22841922

IUPAC(2S,3S)-8-iodo-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESO[C@H]1Cc2c(I)cccc2C[C@@H]1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C21H24INO/c22-19-8-4-7-17-13-20(21(24)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
InChIKeyWHSCBBDEYZHIOG-SFTDATJTSA-N
MW433.33 g/mol
LogP4.00
Rot. Bonds2

About (2S,3S)-8-iodo-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol

(2S,3S)-8-iodo-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 22841922) has the molecular formula C21H24INO and a molecular weight of 433.33 g/mol. Its IUPAC name is (2S,3S)-8-iodo-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(2S,3S)-8-iodo-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID22841922
Molecular FormulaC21H24INO
Molecular Weight433.33 g/mol
Exact Mass433.09
IUPAC Name(2S,3S)-8-iodo-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESO[C@H]1Cc2c(I)cccc2C[C@@H]1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C21H24INO/c22-19-8-4-7-17-13-20(21(24)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
InChIKeyWHSCBBDEYZHIOG-SFTDATJTSA-N
XLogP4.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.33
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-8-iodo-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of (2S,3S)-8-iodo-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol (CID 22841922) is (2S,3S)-8-iodo-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (2S,3S)-8-iodo-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for (2S,3S)-8-iodo-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol is O[C@H]1Cc2c(I)cccc2C[C@@H]1N1CCC(c2ccccc2)CC1.
What is the InChIKey of (2S,3S)-8-iodo-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is WHSCBBDEYZHIOG-SFTDATJTSA-N. The full InChI is InChI=1S/C21H24INO/c22-19-8-4-7-17-13-20(21(24)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.
What are the key properties of (2S,3S)-8-iodo-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
(2S,3S)-8-iodo-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 433.33 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-8-iodo-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 22841922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).