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

C22H28N2O — CID 24894531

IUPAC(6R,8S)-6-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol
SMILESCc1ccccc1C1CCN(C[C@@H]2Cc3cccnc3[C@@H](O)C2)CC1
InChIInChI=1S/C22H28N2O/c1-16-5-2-3-7-20(16)18-8-11-24(12-9-18)15-17-13-19-6-4-10-23-22(19)21(25)14-17/h2-7,10,17-18,21,25H,8-9,11-15H2,1H3/t17-,21+/m1/s1
InChIKeyRZKJERNIDGJRAZ-UTKZUKDTSA-N
MW336.48 g/mol
LogP3.87
Rot. Bonds3

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

(6R,8S)-6-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol (PubChem CID 24894531) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is (6R,8S)-6-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol.

Molecular Properties

Compound Name(6R,8S)-6-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol
PubChem CID24894531
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name(6R,8S)-6-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol
SMILESCc1ccccc1C1CCN(C[C@@H]2Cc3cccnc3[C@@H](O)C2)CC1
InChIInChI=1S/C22H28N2O/c1-16-5-2-3-7-20(16)18-8-11-24(12-9-18)15-17-13-19-6-4-10-23-22(19)21(25)14-17/h2-7,10,17-18,21,25H,8-9,11-15H2,1H3/t17-,21+/m1/s1
InChIKeyRZKJERNIDGJRAZ-UTKZUKDTSA-N
XLogP3.87
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R,8S)-6-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol?
The IUPAC name of (6R,8S)-6-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol (CID 24894531) is (6R,8S)-6-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol.
What is the SMILES notation for (6R,8S)-6-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol?
The canonical SMILES for (6R,8S)-6-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol is Cc1ccccc1C1CCN(C[C@@H]2Cc3cccnc3[C@@H](O)C2)CC1.
What is the InChIKey of (6R,8S)-6-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol?
The InChIKey is RZKJERNIDGJRAZ-UTKZUKDTSA-N. The full InChI is InChI=1S/C22H28N2O/c1-16-5-2-3-7-20(16)18-8-11-24(12-9-18)15-17-13-19-6-4-10-23-22(19)21(25)14-17/h2-7,10,17-18,21,25H,8-9,11-15H2,1H3/t17-,21+/m1/s1.
What are the key properties of (6R,8S)-6-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol?
(6R,8S)-6-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol has a molecular weight of 336.48 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8S)-6-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol is sourced from PubChem (CID 24894531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).