(2R,3R)-3-(4-benzylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol

C22H27NO — CID 122181074

IUPAC(2R,3R)-3-(4-benzylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESO[C@@H]1Cc2ccccc2CC1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H27NO/c24-22-16-20-9-5-4-8-19(20)15-21(22)23-12-10-18(11-13-23)14-17-6-2-1-3-7-17/h1-9,18,21-22,24H,10-16H2/t21?,22-/m1/s1
InChIKeyJAPCOMVHWCCKQL-FOIFJWKZSA-N
MW321.46 g/mol
LogP3.47
Rot. Bonds3

About (2R,3R)-3-(4-benzylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol

(2R,3R)-3-(4-benzylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 122181074) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is (2R,3R)-3-(4-benzylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-(4-benzylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID122181074
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name(2R,3R)-3-(4-benzylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESO[C@@H]1Cc2ccccc2CC1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H27NO/c24-22-16-20-9-5-4-8-19(20)15-21(22)23-12-10-18(11-13-23)14-17-6-2-1-3-7-17/h1-9,18,21-22,24H,10-16H2/t21?,22-/m1/s1
InChIKeyJAPCOMVHWCCKQL-FOIFJWKZSA-N
XLogP3.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(4-benzylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of (2R,3R)-3-(4-benzylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol (CID 122181074) is (2R,3R)-3-(4-benzylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (2R,3R)-3-(4-benzylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for (2R,3R)-3-(4-benzylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol is O[C@@H]1Cc2ccccc2CC1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (2R,3R)-3-(4-benzylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is JAPCOMVHWCCKQL-FOIFJWKZSA-N. The full InChI is InChI=1S/C22H27NO/c24-22-16-20-9-5-4-8-19(20)15-21(22)23-12-10-18(11-13-23)14-17-6-2-1-3-7-17/h1-9,18,21-22,24H,10-16H2/t21?,22-/m1/s1.
What are the key properties of (2R,3R)-3-(4-benzylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
(2R,3R)-3-(4-benzylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 321.46 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(4-benzylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 122181074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).