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

C22H27FN2O2 — CID 24894533

IUPAC(6R,8S)-6-[[(3R,4R)-4-(4-fluoro-2-methylphenyl)-3-hydroxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol
SMILESCc1cc(F)ccc1[C@H]1CCN(C[C@@H]2Cc3cccnc3[C@@H](O)C2)C[C@@H]1O
InChIInChI=1S/C22H27FN2O2/c1-14-9-17(23)4-5-18(14)19-6-8-25(13-21(19)27)12-15-10-16-3-2-7-24-22(16)20(26)11-15/h2-5,7,9,15,19-21,26-27H,6,8,10-13H2,1H3/t15-,19-,20+,21+/m1/s1
InChIKeyJTAMWNPJYHNWBD-IDCXYZFESA-N
MW370.47 g/mol
LogP2.98
Rot. Bonds3

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

(6R,8S)-6-[[(3R,4R)-4-(4-fluoro-2-methylphenyl)-3-hydroxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol (PubChem CID 24894533) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is (6R,8S)-6-[[(3R,4R)-4-(4-fluoro-2-methylphenyl)-3-hydroxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol.

Molecular Properties

Compound Name(6R,8S)-6-[[(3R,4R)-4-(4-fluoro-2-methylphenyl)-3-hydroxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol
PubChem CID24894533
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name(6R,8S)-6-[[(3R,4R)-4-(4-fluoro-2-methylphenyl)-3-hydroxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol
SMILESCc1cc(F)ccc1[C@H]1CCN(C[C@@H]2Cc3cccnc3[C@@H](O)C2)C[C@@H]1O
InChIInChI=1S/C22H27FN2O2/c1-14-9-17(23)4-5-18(14)19-6-8-25(13-21(19)27)12-15-10-16-3-2-7-24-22(16)20(26)11-15/h2-5,7,9,15,19-21,26-27H,6,8,10-13H2,1H3/t15-,19-,20+,21+/m1/s1
InChIKeyJTAMWNPJYHNWBD-IDCXYZFESA-N
XLogP2.98
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

Cinchonidine
CID 101744
Cinchonine
CID 90454
Pirmenol
CID 65502
Hydrocinchonine, (+)-
CID 11630759
Alpha-quinidine
CID 2757
(5-Ethyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol
CID 101711
Dihydrocinchonidine
CID 6914728
Pirmenol Hydrochloride
CID 65501
(9R)-Cinchonan-9-ol
CID 5702153
Isoquinolin-1-yl(phenyl)methanol
CID 2789853
(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
CID 443155
Cinchonine Hydrochloride
CID 90453

Frequently Asked Questions

What is the IUPAC name of (6R,8S)-6-[[(3R,4R)-4-(4-fluoro-2-methylphenyl)-3-hydroxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol?
The IUPAC name of (6R,8S)-6-[[(3R,4R)-4-(4-fluoro-2-methylphenyl)-3-hydroxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol (CID 24894533) is (6R,8S)-6-[[(3R,4R)-4-(4-fluoro-2-methylphenyl)-3-hydroxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol.
What is the SMILES notation for (6R,8S)-6-[[(3R,4R)-4-(4-fluoro-2-methylphenyl)-3-hydroxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol?
The canonical SMILES for (6R,8S)-6-[[(3R,4R)-4-(4-fluoro-2-methylphenyl)-3-hydroxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol is Cc1cc(F)ccc1[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)-4-(4-fluoro-2-methylphenyl)-3-hydroxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol?
The InChIKey is JTAMWNPJYHNWBD-IDCXYZFESA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-14-9-17(23)4-5-18(14)19-6-8-25(13-21(19)27)12-15-10-16-3-2-7-24-22(16)20(26)11-15/h2-5,7,9,15,19-21,26-27H,6,8,10-13H2,1H3/t15-,19-,20+,21+/m1/s1.
What are the key properties of (6R,8S)-6-[[(3R,4R)-4-(4-fluoro-2-methylphenyl)-3-hydroxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol?
(6R,8S)-6-[[(3R,4R)-4-(4-fluoro-2-methylphenyl)-3-hydroxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol has a molecular weight of 370.47 g/mol, XLogP of 2.98, 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)-4-(4-fluoro-2-methylphenyl)-3-hydroxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol is sourced from PubChem (CID 24894533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).