1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidin-4-ol

C21H25NO2 — CID 122181073

IUPAC1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidin-4-ol
SMILESO[C@@H]1Cc2ccccc2C[C@H]1N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C21H25NO2/c23-20-15-17-7-5-4-6-16(17)14-19(20)22-12-10-21(24,11-13-22)18-8-2-1-3-9-18/h1-9,19-20,23-24H,10-15H2/t19-,20-/m1/s1
InChIKeyAJKMOSGBVDVHSL-WOJBJXKFSA-N
MW323.44 g/mol
LogP2.50
Rot. Bonds2

About 1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidin-4-ol

1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidin-4-ol (PubChem CID 122181073) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidin-4-ol
PubChem CID122181073
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidin-4-ol
SMILESO[C@@H]1Cc2ccccc2C[C@H]1N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C21H25NO2/c23-20-15-17-7-5-4-6-16(17)14-19(20)22-12-10-21(24,11-13-22)18-8-2-1-3-9-18/h1-9,19-20,23-24H,10-15H2/t19-,20-/m1/s1
InChIKeyAJKMOSGBVDVHSL-WOJBJXKFSA-N
XLogP2.50
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidin-4-ol?
The IUPAC name of 1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidin-4-ol (CID 122181073) is 1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidin-4-ol.
What is the SMILES notation for 1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidin-4-ol?
The canonical SMILES for 1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidin-4-ol is O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of 1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidin-4-ol?
The InChIKey is AJKMOSGBVDVHSL-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H25NO2/c23-20-15-17-7-5-4-6-16(17)14-19(20)22-12-10-21(24,11-13-22)18-8-2-1-3-9-18/h1-9,19-20,23-24H,10-15H2/t19-,20-/m1/s1.
What are the key properties of 1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidin-4-ol?
1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidin-4-ol has a molecular weight of 323.44 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidin-4-ol is sourced from PubChem (CID 122181073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).