4-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline

C17H26N2O — CID 65262476

IUPAC4-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCOCC1CCN(CC2CNCc3ccccc32)CC1
InChIInChI=1S/C17H26N2O/c1-20-13-14-6-8-19(9-7-14)12-16-11-18-10-15-4-2-3-5-17(15)16/h2-5,14,16,18H,6-13H2,1H3
InChIKeyCLORICWUMHQESW-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.23
Rot. Bonds4

About 4-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline

4-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 65262476) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID65262476
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCOCC1CCN(CC2CNCc3ccccc32)CC1
InChIInChI=1S/C17H26N2O/c1-20-13-14-6-8-19(9-7-14)12-16-11-18-10-15-4-2-3-5-17(15)16/h2-5,14,16,18H,6-13H2,1H3
InChIKeyCLORICWUMHQESW-UHFFFAOYSA-N
XLogP2.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

4-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65262220
4-[(4,4-dimethylazepan-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65282926
4-[(4-butan-2-ylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65262520
4-(phenoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104294
7,7-dimethyl-4-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)-1,4-thiazepane
CID 107456239
4-(3-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 104505044
4-(azetidin-1-ylmethyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 105491599
4-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104880
methyl 2-(1,2,3,4-tetrahydroisoquinolin-4-yl)acetate
CID 91844783
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 65261901
4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65262029
N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine
CID 64989430

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline (CID 65262476) is 4-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline is COCC1CCN(CC2CNCc3ccccc32)CC1.
What is the InChIKey of 4-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is CLORICWUMHQESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-20-13-14-6-8-19(9-7-14)12-16-11-18-10-15-4-2-3-5-17(15)16/h2-5,14,16,18H,6-13H2,1H3.
What are the key properties of 4-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline?
4-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 274.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 65262476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).