4-[(2R)-2-(3-ethenylpiperidin-4-yl)butyl]quinolin-6-ol

C20H26N2O — CID 145384544

IUPAC4-[(2R)-2-(3-ethenylpiperidin-4-yl)butyl]quinolin-6-ol
SMILESC=CC1CNCCC1[C@H](CC)Cc1ccnc2ccc(O)cc12
InChIInChI=1S/C20H26N2O/c1-3-14(18-8-9-21-13-15(18)4-2)11-16-7-10-22-20-6-5-17(23)12-19(16)20/h4-7,10,12,14-15,18,21,23H,2-3,8-9,11,13H2,1H3/t14-,15?,18?/m1/s1
InChIKeyMICUYAXHYXAAGN-KSTDHSDQSA-N
MW310.44 g/mol
LogP3.92
Rot. Bonds5

About 4-[(2R)-2-(3-ethenylpiperidin-4-yl)butyl]quinolin-6-ol

4-[(2R)-2-(3-ethenylpiperidin-4-yl)butyl]quinolin-6-ol (PubChem CID 145384544) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-[(2R)-2-(3-ethenylpiperidin-4-yl)butyl]quinolin-6-ol.

Molecular Properties

Compound Name4-[(2R)-2-(3-ethenylpiperidin-4-yl)butyl]quinolin-6-ol
PubChem CID145384544
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name4-[(2R)-2-(3-ethenylpiperidin-4-yl)butyl]quinolin-6-ol
SMILESC=CC1CNCCC1[C@H](CC)Cc1ccnc2ccc(O)cc12
InChIInChI=1S/C20H26N2O/c1-3-14(18-8-9-21-13-15(18)4-2)11-16-7-10-22-20-6-5-17(23)12-19(16)20/h4-7,10,12,14-15,18,21,23H,2-3,8-9,11,13H2,1H3/t14-,15?,18?/m1/s1
InChIKeyMICUYAXHYXAAGN-KSTDHSDQSA-N
XLogP3.92
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3-ethenylpiperidin-4-yl)propyl]quinolin-6-ol;methanol
CID 145277984
(2R)-1-[(3R,4S)-3-ethenylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-ol
CID 165341819
(1S)-3-(3-ethenylpiperidin-4-yl)-2-methyl-1-quinolin-4-ylpropan-1-ol
CID 163525433
4-butylquinolin-6-ol
CID 155350973
(1R)-3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-(6-methoxyquinolin-4-yl)propan-1-ol;dihydrochloride
CID 3068229
3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-one
CID 3053309
bis((2R,3R)-2,3-dihydroxybutanedioic acid);3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-one
CID 3053308
3-(3-ethenylpiperidin-4-yl)-1-(6-methoxyquinolin-4-yl)propan-1-one
CID 3831557
4-[(R)-[(2S,4S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-ol
CID 825910
3-[(3S,4R)-3-ethenylpiperidin-4-yl]-1-(6-methoxyquinolin-4-yl)propan-1-one;hydrochloride
CID 22813412
1-(3-ethylpiperidin-4-yl)-3-quinolin-4-ylpropan-2-one
CID 178187525
1-[(3R,4S)-3-ethylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-one
CID 70514644

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(3-ethenylpiperidin-4-yl)butyl]quinolin-6-ol?
The IUPAC name of 4-[(2R)-2-(3-ethenylpiperidin-4-yl)butyl]quinolin-6-ol (CID 145384544) is 4-[(2R)-2-(3-ethenylpiperidin-4-yl)butyl]quinolin-6-ol.
What is the SMILES notation for 4-[(2R)-2-(3-ethenylpiperidin-4-yl)butyl]quinolin-6-ol?
The canonical SMILES for 4-[(2R)-2-(3-ethenylpiperidin-4-yl)butyl]quinolin-6-ol is C=CC1CNCCC1[C@H](CC)Cc1ccnc2ccc(O)cc12.
What is the InChIKey of 4-[(2R)-2-(3-ethenylpiperidin-4-yl)butyl]quinolin-6-ol?
The InChIKey is MICUYAXHYXAAGN-KSTDHSDQSA-N. The full InChI is InChI=1S/C20H26N2O/c1-3-14(18-8-9-21-13-15(18)4-2)11-16-7-10-22-20-6-5-17(23)12-19(16)20/h4-7,10,12,14-15,18,21,23H,2-3,8-9,11,13H2,1H3/t14-,15?,18?/m1/s1.
What are the key properties of 4-[(2R)-2-(3-ethenylpiperidin-4-yl)butyl]quinolin-6-ol?
4-[(2R)-2-(3-ethenylpiperidin-4-yl)butyl]quinolin-6-ol has a molecular weight of 310.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(3-ethenylpiperidin-4-yl)butyl]quinolin-6-ol is sourced from PubChem (CID 145384544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).