(8R)-8-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline

C16H23N3O2 — CID 9170085

IUPAC(8R)-8-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
SMILESCCN1CCN([C@H]2CNCc3cc4c(cc32)OCO4)CC1
InChIInChI=1S/C16H23N3O2/c1-2-18-3-5-19(6-4-18)14-10-17-9-12-7-15-16(8-13(12)14)21-11-20-15/h7-8,14,17H,2-6,9-11H2,1H3/t14-/m0/s1
InChIKeyZXZWTEUFHTZFRP-AWEZNQCLSA-N
MW289.38 g/mol
LogP1.20
Rot. Bonds2

About (8R)-8-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline

(8R)-8-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline (PubChem CID 9170085) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (8R)-8-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline.

Molecular Properties

Compound Name(8R)-8-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
PubChem CID9170085
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(8R)-8-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
SMILESCCN1CCN([C@H]2CNCc3cc4c(cc32)OCO4)CC1
InChIInChI=1S/C16H23N3O2/c1-2-18-3-5-19(6-4-18)14-10-17-9-12-7-15-16(8-13(12)14)21-11-20-15/h7-8,14,17H,2-6,9-11H2,1H3/t14-/m0/s1
InChIKeyZXZWTEUFHTZFRP-AWEZNQCLSA-N
XLogP1.20
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (8R)-8-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline with MolForge

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

Launch Full Analysis

Related Compounds

(8R)-8-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
CID 9170092
(8R)-8-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
CID 9170114
(4S)-4-(4-ethylpiperazin-1-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 9169752
(4R)-7-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169681
(4R)-6-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169609
(8S)-N,N-dipropyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-8-amine
CID 9170054
(4S)-N,N-diethyl-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 9170274
(4S)-7-ethoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169669
(4S)-4-(azepan-1-yl)-N,N-diethyl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 9170280
4-[4-(2-methylpropyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline
CID 63938599
6-ethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
CID 2752336
(4R)-N,N-dimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 9170181

Frequently Asked Questions

What is the IUPAC name of (8R)-8-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
The IUPAC name of (8R)-8-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline (CID 9170085) is (8R)-8-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline.
What is the SMILES notation for (8R)-8-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
The canonical SMILES for (8R)-8-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline is CCN1CCN([C@H]2CNCc3cc4c(cc32)OCO4)CC1.
What is the InChIKey of (8R)-8-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
The InChIKey is ZXZWTEUFHTZFRP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-18-3-5-19(6-4-18)14-10-17-9-12-7-15-16(8-13(12)14)21-11-20-15/h7-8,14,17H,2-6,9-11H2,1H3/t14-/m0/s1.
What are the key properties of (8R)-8-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
(8R)-8-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline has a molecular weight of 289.38 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline is sourced from PubChem (CID 9170085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).