7-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline

C16H22N2 — CID 106314935

IUPAC7-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCC1=CCCN(Cc2ccc3c(c2)CNCC3)C1
InChIInChI=1S/C16H22N2/c1-13-3-2-8-18(11-13)12-14-4-5-15-6-7-17-10-16(15)9-14/h3-5,9,17H,2,6-8,10-12H2,1H3
InChIKeyAHWAKXUNLIGHHX-UHFFFAOYSA-N
MW242.37 g/mol
LogP2.48
Rot. Bonds2

About 7-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline

7-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 106314935) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 7-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID106314935
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name7-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCC1=CCCN(Cc2ccc3c(c2)CNCC3)C1
InChIInChI=1S/C16H22N2/c1-13-3-2-8-18(11-13)12-14-4-5-15-6-7-17-10-16(15)9-14/h3-5,9,17H,2,6-8,10-12H2,1H3
InChIKeyAHWAKXUNLIGHHX-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
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

6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 106315075
6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 114172453
7-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 102963359
7-(2-piperazin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104784
N-methyl-1-[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine
CID 114172704
5-[(4-propylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole
CID 103997998
6-[(4-cyclobutylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 91200429
5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-isoindole
CID 103534857
6-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104815
8-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride
CID 75366017
7-[(4-methylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104157
tert-butyl 4-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)piperazine-1-carboxylate
CID 112721458

Frequently Asked Questions

What is the IUPAC name of 7-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (CID 106314935) is 7-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is CC1=CCCN(Cc2ccc3c(c2)CNCC3)C1.
What is the InChIKey of 7-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is AHWAKXUNLIGHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-13-3-2-8-18(11-13)12-14-4-5-15-6-7-17-10-16(15)9-14/h3-5,9,17H,2,6-8,10-12H2,1H3.
What are the key properties of 7-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
7-[(5-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 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 106314935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).