(4R)-7-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline

C17H27N3O — CID 9169681

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

About (4R)-7-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline

(4R)-7-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 9169681) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (4R)-7-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(4R)-7-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID9169681
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(4R)-7-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCOc1ccc2c(c1)CNC[C@@H]2N1CCN(CC)CC1
InChIInChI=1S/C17H27N3O/c1-3-19-7-9-20(10-8-19)17-13-18-12-14-11-15(21-4-2)5-6-16(14)17/h5-6,11,17-18H,3-4,7-10,12-13H2,1-2H3/t17-/m0/s1
InChIKeyOTOLRZFQKFZYPZ-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

Analyze (4R)-7-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-7-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (4R)-7-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline (CID 9169681) is (4R)-7-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (4R)-7-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (4R)-7-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline is CCOc1ccc2c(c1)CNC[C@@H]2N1CCN(CC)CC1.
What is the InChIKey of (4R)-7-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is OTOLRZFQKFZYPZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-19-7-9-20(10-8-19)17-13-18-12-14-11-15(21-4-2)5-6-16(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)-7-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
(4R)-7-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)-7-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 9169681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).