methoxy-(5-methyl-1-quinolin-5-ylpiperidin-3-yl)methanol

C17H22N2O2 — CID 156648951

IUPACmethoxy-(5-methyl-1-quinolin-5-ylpiperidin-3-yl)methanol
SMILESCOC(O)C1CC(C)CN(c2cccc3ncccc23)C1
InChIInChI=1S/C17H22N2O2/c1-12-9-13(17(20)21-2)11-19(10-12)16-7-3-6-15-14(16)5-4-8-18-15/h3-8,12-13,17,20H,9-11H2,1-2H3
InChIKeyCPGLPBJCZHHDJB-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.66
Rot. Bonds3

About methoxy-(5-methyl-1-quinolin-5-ylpiperidin-3-yl)methanol

methoxy-(5-methyl-1-quinolin-5-ylpiperidin-3-yl)methanol (PubChem CID 156648951) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is methoxy-(5-methyl-1-quinolin-5-ylpiperidin-3-yl)methanol.

Molecular Properties

Compound Namemethoxy-(5-methyl-1-quinolin-5-ylpiperidin-3-yl)methanol
PubChem CID156648951
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Namemethoxy-(5-methyl-1-quinolin-5-ylpiperidin-3-yl)methanol
SMILESCOC(O)C1CC(C)CN(c2cccc3ncccc23)C1
InChIInChI=1S/C17H22N2O2/c1-12-9-13(17(20)21-2)11-19(10-12)16-7-3-6-15-14(16)5-4-8-18-15/h3-8,12-13,17,20H,9-11H2,1-2H3
InChIKeyCPGLPBJCZHHDJB-UHFFFAOYSA-N
XLogP2.66
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[1-Isobutyl-4-(8-quinolinylmethyl)-2-piperazinyl]ethanol
CID 16189802
Ethyl-(3-piperidin-1-yl-propyl)-quinolin-4-yl-amine; Oxalic acid
CID 10902577
Methyl-(3-piperidin-1-yl-propyl)-quinolin-4-yl-amine; Oxalic acid
CID 10978949
2-[1-Isobutyl-4-(6-quinolinylmethyl)-2-piperazinyl]ethanol
CID 16188422
2-[4-[[(6-Fluoroquinolin-8-yl)methyl-methylamino]methyl]piperidin-1-yl]ethanol
CID 56779973
2-[1-Methyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol
CID 23724059
2-[1-(3-Methylbutyl)-4-(8-quinolinylmethyl)-2-piperazinyl]ethanol
CID 16188517
2-[1-Isobutyl-4-(5-quinolinylmethyl)-2-piperazinyl]ethanol
CID 16189936
4-(Hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol
CID 56738268
(3S*,4R*)-4-(hydroxymethyl)-1-[8-(trifluoromethyl)-4-quinolinyl]-3-piperidinol
CID 56906780
[(3R*,4R*)-4-{[(2-methoxyethyl)(methyl)amino]methyl}-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 72939379
1-(3-Ethyl-2-methylquinolin-4-yl)piperidin-4-ol
CID 84597156

Frequently Asked Questions

What is the IUPAC name of methoxy-(5-methyl-1-quinolin-5-ylpiperidin-3-yl)methanol?
The IUPAC name of methoxy-(5-methyl-1-quinolin-5-ylpiperidin-3-yl)methanol (CID 156648951) is methoxy-(5-methyl-1-quinolin-5-ylpiperidin-3-yl)methanol.
What is the SMILES notation for methoxy-(5-methyl-1-quinolin-5-ylpiperidin-3-yl)methanol?
The canonical SMILES for methoxy-(5-methyl-1-quinolin-5-ylpiperidin-3-yl)methanol is COC(O)C1CC(C)CN(c2cccc3ncccc23)C1.
What is the InChIKey of methoxy-(5-methyl-1-quinolin-5-ylpiperidin-3-yl)methanol?
The InChIKey is CPGLPBJCZHHDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-9-13(17(20)21-2)11-19(10-12)16-7-3-6-15-14(16)5-4-8-18-15/h3-8,12-13,17,20H,9-11H2,1-2H3.
What are the key properties of methoxy-(5-methyl-1-quinolin-5-ylpiperidin-3-yl)methanol?
methoxy-(5-methyl-1-quinolin-5-ylpiperidin-3-yl)methanol has a molecular weight of 286.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(5-methyl-1-quinolin-5-ylpiperidin-3-yl)methanol is sourced from PubChem (CID 156648951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).