(1S)-2-methyl-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium

C15H17N2+ — CID 7346316

IUPAC(1S)-2-methyl-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium
SMILESC[NH+]1CCc2ccccc2[C@@H]1c1ccncc1
InChIInChI=1S/C15H16N2/c1-17-11-8-12-4-2-3-5-14(12)15(17)13-6-9-16-10-7-13/h2-7,9-10,15H,8,11H2,1H3/p+1/t15-/m0/s1
InChIKeyRCJVCYBJBPCDCU-HNNXBMFYSA-O
MW225.32 g/mol
LogP1.24
Rot. Bonds1

About (1S)-2-methyl-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium

(1S)-2-methyl-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium (PubChem CID 7346316) has the molecular formula C15H17N2+ and a molecular weight of 225.32 g/mol. Its IUPAC name is (1S)-2-methyl-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium.

Molecular Properties

Compound Name(1S)-2-methyl-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium
PubChem CID7346316
Molecular FormulaC15H17N2+
Molecular Weight225.32 g/mol
Exact Mass225.14
IUPAC Name(1S)-2-methyl-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium
SMILESC[NH+]1CCc2ccccc2[C@@H]1c1ccncc1
InChIInChI=1S/C15H16N2/c1-17-11-8-12-4-2-3-5-14(12)15(17)13-6-9-16-10-7-13/h2-7,9-10,15H,8,11H2,1H3/p+1/t15-/m0/s1
InChIKeyRCJVCYBJBPCDCU-HNNXBMFYSA-O
XLogP1.24
TPSA17.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]pyridine
CID 10443504
2-methyl-1-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 110400609
1-pyridin-4-yl-2-thiophen-2-yl-3,4-dihydro-1H-isoquinoline
CID 4737470
[(1S)-2,3-dihydro-1H-inden-1-yl]-trimethylazanium
CID 57317290
cyclobutyl-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400666
N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 3755839
N-[(1R)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-inden-1-amine
CID 81405488
N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 42916496
(3R,13R)-4,8,12-trimethyl-3,13-dipyridin-3-yl-8-aza-4,12-diazoniatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene
CID 1419514
4,8,12-trimethyl-3,13-dipyridin-3-yl-8-aza-4,12-diazoniatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene
CID 4537986
2-(4-fluoro-2-methylphenyl)sulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-isoquinoline
CID 110400673
2-(1,3-benzodioxol-5-ylsulfonyl)-1-pyridin-4-yl-3,4-dihydro-1H-isoquinoline
CID 110400677

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium?
The IUPAC name of (1S)-2-methyl-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium (CID 7346316) is (1S)-2-methyl-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium.
What is the SMILES notation for (1S)-2-methyl-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium?
The canonical SMILES for (1S)-2-methyl-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium is C[NH+]1CCc2ccccc2[C@@H]1c1ccncc1.
What is the InChIKey of (1S)-2-methyl-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium?
The InChIKey is RCJVCYBJBPCDCU-HNNXBMFYSA-O. The full InChI is InChI=1S/C15H16N2/c1-17-11-8-12-4-2-3-5-14(12)15(17)13-6-9-16-10-7-13/h2-7,9-10,15H,8,11H2,1H3/p+1/t15-/m0/s1.
What are the key properties of (1S)-2-methyl-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium?
(1S)-2-methyl-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium has a molecular weight of 225.32 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium is sourced from PubChem (CID 7346316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).