1-methyl-9-(2-piperidin-1-ylethoxy)-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-6-ium-5-ol

C20H28N3O2+ — CID 143993687

IUPAC1-methyl-9-(2-piperidin-1-ylethoxy)-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-6-ium-5-ol
SMILESCN1CCCc2c(O)[nH+]c3ccc(OCCN4CCCCC4)cc3c21
InChIInChI=1S/C20H27N3O2/c1-22-9-5-6-16-19(22)17-14-15(7-8-18(17)21-20(16)24)25-13-12-23-10-3-2-4-11-23/h7-8,14H,2-6,9-13H2,1H3,(H,21,24)/p+1
InChIKeyAGMRWVKQLBVVEO-UHFFFAOYSA-O
MW342.46 g/mol
LogP2.61
Rot. Bonds4

About 1-methyl-9-(2-piperidin-1-ylethoxy)-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-6-ium-5-ol

1-methyl-9-(2-piperidin-1-ylethoxy)-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-6-ium-5-ol (PubChem CID 143993687) has the molecular formula C20H28N3O2+ and a molecular weight of 342.46 g/mol. Its IUPAC name is 1-methyl-9-(2-piperidin-1-ylethoxy)-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-6-ium-5-ol.

Molecular Properties

Compound Name1-methyl-9-(2-piperidin-1-ylethoxy)-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-6-ium-5-ol
PubChem CID143993687
Molecular FormulaC20H28N3O2+
Molecular Weight342.46 g/mol
Exact Mass342.22
IUPAC Name1-methyl-9-(2-piperidin-1-ylethoxy)-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-6-ium-5-ol
SMILESCN1CCCc2c(O)[nH+]c3ccc(OCCN4CCCCC4)cc3c21
InChIInChI=1S/C20H27N3O2/c1-22-9-5-6-16-19(22)17-14-15(7-8-18(17)21-20(16)24)25-13-12-23-10-3-2-4-11-23/h7-8,14H,2-6,9-13H2,1H3,(H,21,24)/p+1
InChIKeyAGMRWVKQLBVVEO-UHFFFAOYSA-O
XLogP2.61
TPSA50.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-9-(2-piperidin-1-ylethoxy)-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-6-ium-5-ol with MolForge

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Related Compounds

1-methyl-9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride
CID 67381275
1-[2-(3,4-dimethylphenoxy)ethyl]azepane
CID 82086608
1-[2-hydroxy-4-(2-piperidin-1-ylethoxy)phenyl]butan-1-one
CID 30266
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
3-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol
CID 83134389
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
3-[2-(azocan-1-yl)ethoxy]benzoic acid
CID 43532593
2,2-dimethyl-1-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]propan-1-one
CID 166906888
1-[2-[4-(3-methylbut-2-en-2-yl)phenoxy]ethyl]piperidine
CID 71038694
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
2-methyl-4-(2-pyrrolidin-1-ylethoxy)benzonitrile
CID 81281553
1-[2-[7-(2-pyrrolidin-1-ylethoxy)dibenzothiophen-2-yl]oxyethyl]pyrrolidine
CID 67163021

Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-(2-piperidin-1-ylethoxy)-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-6-ium-5-ol?
The IUPAC name of 1-methyl-9-(2-piperidin-1-ylethoxy)-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-6-ium-5-ol (CID 143993687) is 1-methyl-9-(2-piperidin-1-ylethoxy)-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-6-ium-5-ol.
What is the SMILES notation for 1-methyl-9-(2-piperidin-1-ylethoxy)-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-6-ium-5-ol?
The canonical SMILES for 1-methyl-9-(2-piperidin-1-ylethoxy)-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-6-ium-5-ol is CN1CCCc2c(O)[nH+]c3ccc(OCCN4CCCCC4)cc3c21.
What is the InChIKey of 1-methyl-9-(2-piperidin-1-ylethoxy)-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-6-ium-5-ol?
The InChIKey is AGMRWVKQLBVVEO-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H27N3O2/c1-22-9-5-6-16-19(22)17-14-15(7-8-18(17)21-20(16)24)25-13-12-23-10-3-2-4-11-23/h7-8,14H,2-6,9-13H2,1H3,(H,21,24)/p+1.
What are the key properties of 1-methyl-9-(2-piperidin-1-ylethoxy)-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-6-ium-5-ol?
1-methyl-9-(2-piperidin-1-ylethoxy)-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-6-ium-5-ol has a molecular weight of 342.46 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-(2-piperidin-1-ylethoxy)-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-6-ium-5-ol is sourced from PubChem (CID 143993687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).