7-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline

C17H26N2O — CID 115076616

IUPAC7-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESCCN1CCC(COc2ccc3c(c2)CNCC3)CC1
InChIInChI=1S/C17H26N2O/c1-2-19-9-6-14(7-10-19)13-20-17-4-3-15-5-8-18-12-16(15)11-17/h3-4,11,14,18H,2,5-10,12-13H2,1H3
InChIKeyMYUKNXWMUHHZHC-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.44
Rot. Bonds4

About 7-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline

7-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076616) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 7-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076616
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name7-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESCCN1CCC(COc2ccc3c(c2)CNCC3)CC1
InChIInChI=1S/C17H26N2O/c1-2-19-9-6-14(7-10-19)13-20-17-4-3-15-5-8-18-12-16(15)11-17/h3-4,11,14,18H,2,5-10,12-13H2,1H3
InChIKeyMYUKNXWMUHHZHC-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

7-[(1-ethylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076602
7-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076556
7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076617
7-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076478
6-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076430
7-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076629
6-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076292
7-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076618
6-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076431
8-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 75366031
1-ethyl-4-(phenoxymethyl)piperidine
CID 91434819
6-[(1-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076339

Frequently Asked Questions

What is the IUPAC name of 7-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline (CID 115076616) is 7-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline is CCN1CCC(COc2ccc3c(c2)CNCC3)CC1.
What is the InChIKey of 7-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is MYUKNXWMUHHZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-19-9-6-14(7-10-19)13-20-17-4-3-15-5-8-18-12-16(15)11-17/h3-4,11,14,18H,2,5-10,12-13H2,1H3.
What are the key properties of 7-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
7-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 274.41 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).