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

C22H27ClN2O — CID 11326191

IUPAC(6R,8S)-3-chloro-6-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol
SMILESCc1ccccc1C1CCN(C[C@@H]2Cc3cc(Cl)cnc3[C@@H](O)C2)CC1
InChIInChI=1S/C22H27ClN2O/c1-15-4-2-3-5-20(15)17-6-8-25(9-7-17)14-16-10-18-12-19(23)13-24-22(18)21(26)11-16/h2-5,12-13,16-17,21,26H,6-11,14H2,1H3/t16-,21+/m1/s1
InChIKeyXENMWTWSRAECML-IERDGZPVSA-N
MW370.92 g/mol
LogP4.52
Rot. Bonds3

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

(6R,8S)-3-chloro-6-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol (PubChem CID 11326191) has the molecular formula C22H27ClN2O and a molecular weight of 370.92 g/mol. Its IUPAC name is (6R,8S)-3-chloro-6-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol.

Molecular Properties

Compound Name(6R,8S)-3-chloro-6-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol
PubChem CID11326191
Molecular FormulaC22H27ClN2O
Molecular Weight370.92 g/mol
Exact Mass370.18
IUPAC Name(6R,8S)-3-chloro-6-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol
SMILESCc1ccccc1C1CCN(C[C@@H]2Cc3cc(Cl)cnc3[C@@H](O)C2)CC1
InChIInChI=1S/C22H27ClN2O/c1-15-4-2-3-5-20(15)17-6-8-25(9-7-17)14-16-10-18-12-19(23)13-24-22(18)21(26)11-16/h2-5,12-13,16-17,21,26H,6-11,14H2,1H3/t16-,21+/m1/s1
InChIKeyXENMWTWSRAECML-IERDGZPVSA-N
XLogP4.52
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R,8S)-3-chloro-6-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol?
The IUPAC name of (6R,8S)-3-chloro-6-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol (CID 11326191) is (6R,8S)-3-chloro-6-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol.
What is the SMILES notation for (6R,8S)-3-chloro-6-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol?
The canonical SMILES for (6R,8S)-3-chloro-6-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol is Cc1ccccc1C1CCN(C[C@@H]2Cc3cc(Cl)cnc3[C@@H](O)C2)CC1.
What is the InChIKey of (6R,8S)-3-chloro-6-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol?
The InChIKey is XENMWTWSRAECML-IERDGZPVSA-N. The full InChI is InChI=1S/C22H27ClN2O/c1-15-4-2-3-5-20(15)17-6-8-25(9-7-17)14-16-10-18-12-19(23)13-24-22(18)21(26)11-16/h2-5,12-13,16-17,21,26H,6-11,14H2,1H3/t16-,21+/m1/s1.
What are the key properties of (6R,8S)-3-chloro-6-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol?
(6R,8S)-3-chloro-6-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol has a molecular weight of 370.92 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8S)-3-chloro-6-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol is sourced from PubChem (CID 11326191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).