3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane

C16H22N2O — CID 66371468

IUPAC3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESc1ccc2c(c1)CCNC2CN1CC2CCC(C1)O2
InChIInChI=1S/C16H22N2O/c1-2-4-15-12(3-1)7-8-17-16(15)11-18-9-13-5-6-14(10-18)19-13/h1-4,13-14,16-17H,5-11H2
InChIKeyZEAAYWOFGMGXQT-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.74
Rot. Bonds2

About 3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane

3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 66371468) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID66371468
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESc1ccc2c(c1)CCNC2CN1CC2CCC(C1)O2
InChIInChI=1S/C16H22N2O/c1-2-4-15-12(3-1)7-8-17-16(15)11-18-9-13-5-6-14(10-18)19-13/h1-4,13-14,16-17H,5-11H2
InChIKeyZEAAYWOFGMGXQT-UHFFFAOYSA-N
XLogP1.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

(3S)-3-[(tert-butylcarbamoylamino)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 44286884
(8aR)-1-benzyl-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine
CID 127023804
(2-Morpholin-4-yl-ethyl)-(1-phenyl-2-piperidin-1-yl-ethyl)-amine
CID 51000971
6-benzyl-octahydro-2H-pyrido[4,3-b]morpholine
CID 83487362
(1-Benzyl-piperidin-4-yl)-(tetrahydro-furan-2-ylmethyl)-amine
CID 3156798
1-ethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine
CID 29255338
1-(2-methylphenyl)-2-morpholin-4-yl-N-(oxolan-2-ylmethyl)ethanamine
CID 91660424
2,6-dimethyl-N-[1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine
CID 119033910
(1R,4R)-1-[(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 174236314
2-[(1S)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,4-oxazepane
CID 175484991
(2R)-2-[(1S)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,4-oxazepane
CID 175484992
(2S)-2-[(1S)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,4-oxazepane
CID 175485001

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane (CID 66371468) is 3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane is c1ccc2c(c1)CCNC2CN1CC2CCC(C1)O2.
What is the InChIKey of 3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is ZEAAYWOFGMGXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-4-15-12(3-1)7-8-17-16(15)11-18-9-13-5-6-14(10-18)19-13/h1-4,13-14,16-17H,5-11H2.
What are the key properties of 3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 258.36 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 66371468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).