(6R,8S)-6-[[(3R,4R)-3-hydroxy-4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol

C22H28N2O2 — CID 24894783

IUPAC(6R,8S)-6-[[(3R,4R)-3-hydroxy-4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol
SMILESCc1ccccc1[C@H]1CCN(C[C@@H]2Cc3cccnc3[C@@H](O)C2)C[C@@H]1O
InChIInChI=1S/C22H28N2O2/c1-15-5-2-3-7-18(15)19-8-10-24(14-21(19)26)13-16-11-17-6-4-9-23-22(17)20(25)12-16/h2-7,9,16,19-21,25-26H,8,10-14H2,1H3/t16-,19-,20+,21+/m1/s1
InChIKeyUECVBKMBWUTOOU-DBOLQNLKSA-N
MW352.48 g/mol
LogP2.84
Rot. Bonds3

About (6R,8S)-6-[[(3R,4R)-3-hydroxy-4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol

(6R,8S)-6-[[(3R,4R)-3-hydroxy-4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol (PubChem CID 24894783) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (6R,8S)-6-[[(3R,4R)-3-hydroxy-4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol.

Molecular Properties

Compound Name(6R,8S)-6-[[(3R,4R)-3-hydroxy-4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol
PubChem CID24894783
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name(6R,8S)-6-[[(3R,4R)-3-hydroxy-4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol
SMILESCc1ccccc1[C@H]1CCN(C[C@@H]2Cc3cccnc3[C@@H](O)C2)C[C@@H]1O
InChIInChI=1S/C22H28N2O2/c1-15-5-2-3-7-18(15)19-8-10-24(14-21(19)26)13-16-11-17-6-4-9-23-22(17)20(25)12-16/h2-7,9,16,19-21,25-26H,8,10-14H2,1H3/t16-,19-,20+,21+/m1/s1
InChIKeyUECVBKMBWUTOOU-DBOLQNLKSA-N
XLogP2.84
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6R,8S)-6-[[(3R,4R)-3-hydroxy-4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R,8S)-6-[[(3R,4R)-3-hydroxy-4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol?
The IUPAC name of (6R,8S)-6-[[(3R,4R)-3-hydroxy-4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol (CID 24894783) is (6R,8S)-6-[[(3R,4R)-3-hydroxy-4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol.
What is the SMILES notation for (6R,8S)-6-[[(3R,4R)-3-hydroxy-4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol?
The canonical SMILES for (6R,8S)-6-[[(3R,4R)-3-hydroxy-4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol is Cc1ccccc1[C@H]1CCN(C[C@@H]2Cc3cccnc3[C@@H](O)C2)C[C@@H]1O.
What is the InChIKey of (6R,8S)-6-[[(3R,4R)-3-hydroxy-4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol?
The InChIKey is UECVBKMBWUTOOU-DBOLQNLKSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-15-5-2-3-7-18(15)19-8-10-24(14-21(19)26)13-16-11-17-6-4-9-23-22(17)20(25)12-16/h2-7,9,16,19-21,25-26H,8,10-14H2,1H3/t16-,19-,20+,21+/m1/s1.
What are the key properties of (6R,8S)-6-[[(3R,4R)-3-hydroxy-4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol?
(6R,8S)-6-[[(3R,4R)-3-hydroxy-4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol has a molecular weight of 352.48 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8S)-6-[[(3R,4R)-3-hydroxy-4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol is sourced from PubChem (CID 24894783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).