(R)-[(2R,4S,5R)-5-ethenyl-4-ethyl-1-methylpiperidin-2-yl]-(6-methoxyquinolin-4-yl)methanol

C21H28N2O2 — CID 163094905

IUPAC(R)-[(2R,4S,5R)-5-ethenyl-4-ethyl-1-methylpiperidin-2-yl]-(6-methoxyquinolin-4-yl)methanol
SMILESC=C[C@H]1CN(C)[C@@H]([C@H](O)c2ccnc3ccc(OC)cc23)C[C@@H]1CC
InChIInChI=1S/C21H28N2O2/c1-5-14-11-20(23(3)13-15(14)6-2)21(24)17-9-10-22-19-8-7-16(25-4)12-18(17)19/h6-10,12,14-15,20-21,24H,2,5,11,13H2,1,3-4H3/t14-,15-,20+,21+/m0/s1
InChIKeyYQIZUZNENYMJNQ-VUEDXXQZSA-N
MW340.47 g/mol
LogP3.81
Rot. Bonds5

About (R)-[(2R,4S,5R)-5-ethenyl-4-ethyl-1-methylpiperidin-2-yl]-(6-methoxyquinolin-4-yl)methanol

(R)-[(2R,4S,5R)-5-ethenyl-4-ethyl-1-methylpiperidin-2-yl]-(6-methoxyquinolin-4-yl)methanol (PubChem CID 163094905) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is (R)-[(2R,4S,5R)-5-ethenyl-4-ethyl-1-methylpiperidin-2-yl]-(6-methoxyquinolin-4-yl)methanol.

Molecular Properties

Compound Name(R)-[(2R,4S,5R)-5-ethenyl-4-ethyl-1-methylpiperidin-2-yl]-(6-methoxyquinolin-4-yl)methanol
PubChem CID163094905
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name(R)-[(2R,4S,5R)-5-ethenyl-4-ethyl-1-methylpiperidin-2-yl]-(6-methoxyquinolin-4-yl)methanol
SMILESC=C[C@H]1CN(C)[C@@H]([C@H](O)c2ccnc3ccc(OC)cc23)C[C@@H]1CC
InChIInChI=1S/C21H28N2O2/c1-5-14-11-20(23(3)13-15(14)6-2)21(24)17-9-10-22-19-8-7-16(25-4)12-18(17)19/h6-10,12,14-15,20-21,24H,2,5,11,13H2,1,3-4H3/t14-,15-,20+,21+/m0/s1
InChIKeyYQIZUZNENYMJNQ-VUEDXXQZSA-N
XLogP3.81
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (R)-[(2R,4S,5R)-5-ethenyl-4-ethyl-1-methylpiperidin-2-yl]-(6-methoxyquinolin-4-yl)methanol with MolForge

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Related Compounds

(R)-[(2S,8R)-5-amino-8-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 139239213
(S)-[(2S,4R,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 6604612
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-(111C)methoxyquinolin-4-yl)methanol
CID 56643420
(S)-[(4R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 155372243
[(2R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 16759993
(R)-[(2R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 23305116
(R)-[(4S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 155372245
(S)-[(2R,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 66589237
(R)-[(2S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 5484444
azane;[(2R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 146405919
(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydrobromide
CID 71719620
(R)-[(2R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydroiodide
CID 69334291

Frequently Asked Questions

What is the IUPAC name of (R)-[(2R,4S,5R)-5-ethenyl-4-ethyl-1-methylpiperidin-2-yl]-(6-methoxyquinolin-4-yl)methanol?
The IUPAC name of (R)-[(2R,4S,5R)-5-ethenyl-4-ethyl-1-methylpiperidin-2-yl]-(6-methoxyquinolin-4-yl)methanol (CID 163094905) is (R)-[(2R,4S,5R)-5-ethenyl-4-ethyl-1-methylpiperidin-2-yl]-(6-methoxyquinolin-4-yl)methanol.
What is the SMILES notation for (R)-[(2R,4S,5R)-5-ethenyl-4-ethyl-1-methylpiperidin-2-yl]-(6-methoxyquinolin-4-yl)methanol?
The canonical SMILES for (R)-[(2R,4S,5R)-5-ethenyl-4-ethyl-1-methylpiperidin-2-yl]-(6-methoxyquinolin-4-yl)methanol is C=C[C@H]1CN(C)[C@@H]([C@H](O)c2ccnc3ccc(OC)cc23)C[C@@H]1CC.
What is the InChIKey of (R)-[(2R,4S,5R)-5-ethenyl-4-ethyl-1-methylpiperidin-2-yl]-(6-methoxyquinolin-4-yl)methanol?
The InChIKey is YQIZUZNENYMJNQ-VUEDXXQZSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-5-14-11-20(23(3)13-15(14)6-2)21(24)17-9-10-22-19-8-7-16(25-4)12-18(17)19/h6-10,12,14-15,20-21,24H,2,5,11,13H2,1,3-4H3/t14-,15-,20+,21+/m0/s1.
What are the key properties of (R)-[(2R,4S,5R)-5-ethenyl-4-ethyl-1-methylpiperidin-2-yl]-(6-methoxyquinolin-4-yl)methanol?
(R)-[(2R,4S,5R)-5-ethenyl-4-ethyl-1-methylpiperidin-2-yl]-(6-methoxyquinolin-4-yl)methanol has a molecular weight of 340.47 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(2R,4S,5R)-5-ethenyl-4-ethyl-1-methylpiperidin-2-yl]-(6-methoxyquinolin-4-yl)methanol is sourced from PubChem (CID 163094905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).