1-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline

C16H22N2 — CID 114410800

IUPAC1-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCC1=CCN(CC2NCCc3ccccc32)CC1
InChIInChI=1S/C16H22N2/c1-13-7-10-18(11-8-13)12-16-15-5-3-2-4-14(15)6-9-17-16/h2-5,7,16-17H,6,8-12H2,1H3
InChIKeyMMBLSNHJWSZKGB-UHFFFAOYSA-N
MW242.37 g/mol
LogP2.53
Rot. Bonds2

About 1-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline

1-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 114410800) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID114410800
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCC1=CCN(CC2NCCc3ccccc32)CC1
InChIInChI=1S/C16H22N2/c1-13-7-10-18(11-8-13)12-16-15-5-3-2-4-14(15)6-9-17-16/h2-5,7,16-17H,6,8-12H2,1H3
InChIKeyMMBLSNHJWSZKGB-UHFFFAOYSA-N
XLogP2.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,5-dimethylpyrrol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 114284715
3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66371468
(1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 40527795
2-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 63151684
N,N,4-trimethyl-1-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrrolidin-3-amine
CID 81464017
1-[10-(1,2,3,4-tetrahydroisoquinolin-1-yl)decyl]-1,2,3,4-tetrahydroisoquinoline
CID 20976200
1,2,3,4-tetrahydroisoquinolin-1-ylmethanol
CID 51358587
(1S)-1-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 92859849
N,N-dimethyl-1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanamine
CID 92983298
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 82752757
(1R)-1-but-2-ynyl-1,2,3,4-tetrahydroisoquinoline
CID 118274759
4-[2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethyl]morpholine
CID 82048427

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (CID 114410800) is 1-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is CC1=CCN(CC2NCCc3ccccc32)CC1.
What is the InChIKey of 1-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is MMBLSNHJWSZKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-13-7-10-18(11-8-13)12-16-15-5-3-2-4-14(15)6-9-17-16/h2-5,7,16-17H,6,8-12H2,1H3.
What are the key properties of 1-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
1-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 242.37 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 114410800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).