(4R)-6-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline

C17H27N3O — CID 9169609

IUPAC(4R)-6-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCOc1ccc2c(c1)[C@@H](N1CCN(CC)CC1)CNC2
InChIInChI=1S/C17H27N3O/c1-3-19-7-9-20(10-8-19)17-13-18-12-14-5-6-15(21-4-2)11-16(14)17/h5-6,11,17-18H,3-4,7-10,12-13H2,1-2H3/t17-/m0/s1
InChIKeyVFVSPWOXHDVZAE-KRWDZBQOSA-N
MW289.42 g/mol
LogP1.87
Rot. Bonds4

About (4R)-6-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline

(4R)-6-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 9169609) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (4R)-6-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(4R)-6-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID9169609
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(4R)-6-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCOc1ccc2c(c1)[C@@H](N1CCN(CC)CC1)CNC2
InChIInChI=1S/C17H27N3O/c1-3-19-7-9-20(10-8-19)17-13-18-12-14-5-6-15(21-4-2)11-16(14)17/h5-6,11,17-18H,3-4,7-10,12-13H2,1-2H3/t17-/m0/s1
InChIKeyVFVSPWOXHDVZAE-KRWDZBQOSA-N
XLogP1.87
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-7-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169681
(4S)-7-ethoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169669
(4S)-4-(4-ethylpiperazin-1-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 9169752
(4R)-6-methoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169269
(8R)-8-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
CID 9170085
(4R)-7-methoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169422
2-[4-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-ethylacetamide
CID 139706624
(4R)-6-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9170420
1-(3-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 2866902
4-[4-(2-methylpropyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline
CID 63938599
(4R)-7-ethoxy-N,N-dipropyl-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 9169656
7-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076616

Frequently Asked Questions

What is the IUPAC name of (4R)-6-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (4R)-6-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline (CID 9169609) is (4R)-6-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (4R)-6-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (4R)-6-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline is CCOc1ccc2c(c1)[C@@H](N1CCN(CC)CC1)CNC2.
What is the InChIKey of (4R)-6-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is VFVSPWOXHDVZAE-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-19-7-9-20(10-8-19)17-13-18-12-14-5-6-15(21-4-2)11-16(14)17/h5-6,11,17-18H,3-4,7-10,12-13H2,1-2H3/t17-/m0/s1.
What are the key properties of (4R)-6-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
(4R)-6-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 289.42 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 9169609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).