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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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).