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

C17H25N3O2 — CID 9170092

IUPAC(8R)-8-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
SMILESCCCN1CCN([C@H]2CNCc3cc4c(cc32)OCO4)CC1
InChIInChI=1S/C17H25N3O2/c1-2-3-19-4-6-20(7-5-19)15-11-18-10-13-8-16-17(9-14(13)15)22-12-21-16/h8-9,15,18H,2-7,10-12H2,1H3/t15-/m0/s1
InChIKeyPUNFOTSEQUYRTK-HNNXBMFYSA-N
MW303.41 g/mol
LogP1.59
Rot. Bonds3

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

(8R)-8-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline (PubChem CID 9170092) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (8R)-8-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline.

Molecular Properties

Compound Name(8R)-8-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
PubChem CID9170092
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(8R)-8-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
SMILESCCCN1CCN([C@H]2CNCc3cc4c(cc32)OCO4)CC1
InChIInChI=1S/C17H25N3O2/c1-2-3-19-4-6-20(7-5-19)15-11-18-10-13-8-16-17(9-14(13)15)22-12-21-16/h8-9,15,18H,2-7,10-12H2,1H3/t15-/m0/s1
InChIKeyPUNFOTSEQUYRTK-HNNXBMFYSA-N
XLogP1.59
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
The IUPAC name of (8R)-8-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline (CID 9170092) is (8R)-8-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline.
What is the SMILES notation for (8R)-8-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
The canonical SMILES for (8R)-8-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline is CCCN1CCN([C@H]2CNCc3cc4c(cc32)OCO4)CC1.
What is the InChIKey of (8R)-8-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
The InChIKey is PUNFOTSEQUYRTK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-2-3-19-4-6-20(7-5-19)15-11-18-10-13-8-16-17(9-14(13)15)22-12-21-16/h8-9,15,18H,2-7,10-12H2,1H3/t15-/m0/s1.
What are the key properties of (8R)-8-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
(8R)-8-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline has a molecular weight of 303.41 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline is sourced from PubChem (CID 9170092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).