6-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline

C18H28N2O — CID 115076431

IUPAC6-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESCCN1CCC(C)(COc2ccc3c(c2)CCNC3)CC1
InChIInChI=1S/C18H28N2O/c1-3-20-10-7-18(2,8-11-20)14-21-17-5-4-16-13-19-9-6-15(16)12-17/h4-5,12,19H,3,6-11,13-14H2,1-2H3
InChIKeyHMOFTVNEQITJQF-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.83
Rot. Bonds4

About 6-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline

6-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076431) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 6-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076431
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name6-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESCCN1CCC(C)(COc2ccc3c(c2)CCNC3)CC1
InChIInChI=1S/C18H28N2O/c1-3-20-10-7-18(2,8-11-20)14-21-17-5-4-16-13-19-9-6-15(16)12-17/h4-5,12,19H,3,6-11,13-14H2,1-2H3
InChIKeyHMOFTVNEQITJQF-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076618
6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076372
6-[(1-ethyl-3-methylpyrrolidin-3-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074784
7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076573
7-[(1-ethyl-2-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076530
5-[(1-methylcyclohexyl)methoxy]-2,3-dihydro-1H-isoindole
CID 115075931
7-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076616
7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076635
4-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-isoindole
CID 115075876
7-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076556
6-[(4-methylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074794
7-[(1-ethylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076602

Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline (CID 115076431) is 6-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline is CCN1CCC(C)(COc2ccc3c(c2)CCNC3)CC1.
What is the InChIKey of 6-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is HMOFTVNEQITJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-20-10-7-18(2,8-11-20)14-21-17-5-4-16-13-19-9-6-15(16)12-17/h4-5,12,19H,3,6-11,13-14H2,1-2H3.
What are the key properties of 6-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
6-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 288.44 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).