(2R)-1-[(3R,4S)-3-ethenylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-ol

C20H26N2O2 — CID 165341819

IUPAC(2R)-1-[(3R,4S)-3-ethenylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-ol
SMILESC=C[C@H]1CNCC[C@H]1C[C@@H](O)Cc1ccnc2ccc(OC)cc12
InChIInChI=1S/C20H26N2O2/c1-3-14-13-21-8-6-15(14)10-17(23)11-16-7-9-22-20-5-4-18(24-2)12-19(16)20/h3-5,7,9,12,14-15,17,21,23H,1,6,8,10-11,13H2,2H3/t14-,15-,17+/m0/s1
InChIKeyBVKLZDFLKITZHQ-YQQAZPJKSA-N
MW326.44 g/mol
LogP2.95
Rot. Bonds6

About (2R)-1-[(3R,4S)-3-ethenylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-ol

(2R)-1-[(3R,4S)-3-ethenylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-ol (PubChem CID 165341819) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (2R)-1-[(3R,4S)-3-ethenylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(3R,4S)-3-ethenylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-ol
PubChem CID165341819
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(2R)-1-[(3R,4S)-3-ethenylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-ol
SMILESC=C[C@H]1CNCC[C@H]1C[C@@H](O)Cc1ccnc2ccc(OC)cc12
InChIInChI=1S/C20H26N2O2/c1-3-14-13-21-8-6-15(14)10-17(23)11-16-7-9-22-20-5-4-18(24-2)12-19(16)20/h3-5,7,9,12,14-15,17,21,23H,1,6,8,10-11,13H2,2H3/t14-,15-,17+/m0/s1
InChIKeyBVKLZDFLKITZHQ-YQQAZPJKSA-N
XLogP2.95
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-1-[(3R,4S)-3-ethenylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(1R)-3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-(6-methoxyquinolin-4-yl)propan-1-ol;dihydrochloride
CID 3068229
3-(3-ethenylpiperidin-4-yl)-1-(6-methoxyquinolin-4-yl)propan-1-one
CID 3831557
3-[(3S,4R)-3-ethenylpiperidin-4-yl]-1-(6-methoxyquinolin-4-yl)propan-1-one;hydrochloride
CID 22813412
1-[(3R,4S)-3-ethylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-one
CID 70514644
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
2-[(3R,4R)-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]acetic acid
CID 21347710
(1S)-3-(3-ethenylpiperidin-4-yl)-2-methyl-1-quinolin-4-ylpropan-1-ol
CID 163525433
6-methoxy-4-(3-piperidin-3-ylpropyl)quinoline
CID 12799878
4-[[(5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]-6-methoxyquinoline
CID 142080234
4-[[(2S,4S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]-6-methoxyquinoline
CID 175826429
tert-butyl N-[4-[(1S)-1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]cyclohexyl]carbamate
CID 68631993

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3R,4S)-3-ethenylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-ol?
The IUPAC name of (2R)-1-[(3R,4S)-3-ethenylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-ol (CID 165341819) is (2R)-1-[(3R,4S)-3-ethenylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-[(3R,4S)-3-ethenylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-ol?
The canonical SMILES for (2R)-1-[(3R,4S)-3-ethenylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-ol is C=C[C@H]1CNCC[C@H]1C[C@@H](O)Cc1ccnc2ccc(OC)cc12.
What is the InChIKey of (2R)-1-[(3R,4S)-3-ethenylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-ol?
The InChIKey is BVKLZDFLKITZHQ-YQQAZPJKSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-14-13-21-8-6-15(14)10-17(23)11-16-7-9-22-20-5-4-18(24-2)12-19(16)20/h3-5,7,9,12,14-15,17,21,23H,1,6,8,10-11,13H2,2H3/t14-,15-,17+/m0/s1.
What are the key properties of (2R)-1-[(3R,4S)-3-ethenylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-ol?
(2R)-1-[(3R,4S)-3-ethenylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-ol has a molecular weight of 326.44 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3R,4S)-3-ethenylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-ol is sourced from PubChem (CID 165341819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).