(1S)-3-(3-ethenylpiperidin-4-yl)-2-methyl-1-quinolin-4-ylpropan-1-ol

C20H26N2O — CID 163525433

IUPAC(1S)-3-(3-ethenylpiperidin-4-yl)-2-methyl-1-quinolin-4-ylpropan-1-ol
SMILESC=CC1CNCCC1CC(C)[C@H](O)c1ccnc2ccccc12
InChIInChI=1S/C20H26N2O/c1-3-15-13-21-10-8-16(15)12-14(2)20(23)18-9-11-22-19-7-5-4-6-17(18)19/h3-7,9,11,14-16,20-21,23H,1,8,10,12-13H2,2H3/t14?,15?,16?,20-/m0/s1
InChIKeyDOIMWEGCWBFZBR-UTVANHSVSA-N
MW310.44 g/mol
LogP3.71
Rot. Bonds5

About (1S)-3-(3-ethenylpiperidin-4-yl)-2-methyl-1-quinolin-4-ylpropan-1-ol

(1S)-3-(3-ethenylpiperidin-4-yl)-2-methyl-1-quinolin-4-ylpropan-1-ol (PubChem CID 163525433) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is (1S)-3-(3-ethenylpiperidin-4-yl)-2-methyl-1-quinolin-4-ylpropan-1-ol.

Molecular Properties

Compound Name(1S)-3-(3-ethenylpiperidin-4-yl)-2-methyl-1-quinolin-4-ylpropan-1-ol
PubChem CID163525433
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name(1S)-3-(3-ethenylpiperidin-4-yl)-2-methyl-1-quinolin-4-ylpropan-1-ol
SMILESC=CC1CNCCC1CC(C)[C@H](O)c1ccnc2ccccc12
InChIInChI=1S/C20H26N2O/c1-3-15-13-21-10-8-16(15)12-14(2)20(23)18-9-11-22-19-7-5-4-6-17(18)19/h3-7,9,11,14-16,20-21,23H,1,8,10,12-13H2,2H3/t14?,15?,16?,20-/m0/s1
InChIKeyDOIMWEGCWBFZBR-UTVANHSVSA-N
XLogP3.71
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 ≤ 53.71
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

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
(1R)-3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-(6-methoxyquinolin-4-yl)propan-1-ol;dihydrochloride
CID 3068229
(2R)-1-[(3R,4S)-3-ethenylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-ol
CID 165341819
(1R,2R,4S)-2,5-dimethyl-4-propyl-1-quinolin-4-ylheptan-1-ol;ethane
CID 142241706
4-[2-(3-ethenylpiperidin-4-yl)propyl]quinolin-6-ol;methanol
CID 145277984
4-[(2R)-2-(3-ethenylpiperidin-4-yl)butyl]quinolin-6-ol
CID 145384544
4-[3-[1-(anthracen-9-ylmethyl)-3-ethenylpiperidin-4-yl]-2-methyl-1-prop-2-enoxypropyl]quinoline
CID 122591229
3-(3-ethenylpiperidin-4-yl)-1-(6-methoxyquinolin-4-yl)propan-1-one
CID 3831557
(R)-[(1S,2S,4S,5R)-5-ethenyl-1-ethyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
CID 131884310
(S)-[(2R,4S,5R)-5-ethenyl-1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
CID 68811589
(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol
CID 11320

Frequently Asked Questions

What is the IUPAC name of (1S)-3-(3-ethenylpiperidin-4-yl)-2-methyl-1-quinolin-4-ylpropan-1-ol?
The IUPAC name of (1S)-3-(3-ethenylpiperidin-4-yl)-2-methyl-1-quinolin-4-ylpropan-1-ol (CID 163525433) is (1S)-3-(3-ethenylpiperidin-4-yl)-2-methyl-1-quinolin-4-ylpropan-1-ol.
What is the SMILES notation for (1S)-3-(3-ethenylpiperidin-4-yl)-2-methyl-1-quinolin-4-ylpropan-1-ol?
The canonical SMILES for (1S)-3-(3-ethenylpiperidin-4-yl)-2-methyl-1-quinolin-4-ylpropan-1-ol is C=CC1CNCCC1CC(C)[C@H](O)c1ccnc2ccccc12.
What is the InChIKey of (1S)-3-(3-ethenylpiperidin-4-yl)-2-methyl-1-quinolin-4-ylpropan-1-ol?
The InChIKey is DOIMWEGCWBFZBR-UTVANHSVSA-N. The full InChI is InChI=1S/C20H26N2O/c1-3-15-13-21-10-8-16(15)12-14(2)20(23)18-9-11-22-19-7-5-4-6-17(18)19/h3-7,9,11,14-16,20-21,23H,1,8,10,12-13H2,2H3/t14?,15?,16?,20-/m0/s1.
What are the key properties of (1S)-3-(3-ethenylpiperidin-4-yl)-2-methyl-1-quinolin-4-ylpropan-1-ol?
(1S)-3-(3-ethenylpiperidin-4-yl)-2-methyl-1-quinolin-4-ylpropan-1-ol has a molecular weight of 310.44 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-(3-ethenylpiperidin-4-yl)-2-methyl-1-quinolin-4-ylpropan-1-ol is sourced from PubChem (CID 163525433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).