6-[2-(1-benzylpiperidin-4-yl)ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole

C23H28N2O2 — CID 141348603

IUPAC6-[2-(1-benzylpiperidin-4-yl)ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole
SMILESc1ccc(CN2CCC(CCN3Cc4cc5c(cc4C3)OCO5)CC2)cc1
InChIInChI=1S/C23H28N2O2/c1-2-4-19(5-3-1)14-24-9-6-18(7-10-24)8-11-25-15-20-12-22-23(27-17-26-22)13-21(20)16-25/h1-5,12-13,18H,6-11,14-17H2
InChIKeyXBDNFTVOJWVHDI-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.03
Rot. Bonds5

About 6-[2-(1-benzylpiperidin-4-yl)ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole

6-[2-(1-benzylpiperidin-4-yl)ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole (PubChem CID 141348603) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 6-[2-(1-benzylpiperidin-4-yl)ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole.

Molecular Properties

Compound Name6-[2-(1-benzylpiperidin-4-yl)ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole
PubChem CID141348603
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name6-[2-(1-benzylpiperidin-4-yl)ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole
SMILESc1ccc(CN2CCC(CCN3Cc4cc5c(cc4C3)OCO5)CC2)cc1
InChIInChI=1S/C23H28N2O2/c1-2-4-19(5-3-1)14-24-9-6-18(7-10-24)8-11-25-15-20-12-22-23(27-17-26-22)13-21(20)16-25/h1-5,12-13,18H,6-11,14-17H2
InChIKeyXBDNFTVOJWVHDI-UHFFFAOYSA-N
XLogP4.03
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[2-(1-benzylpiperidin-4-yl)ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole with MolForge

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Related Compounds

2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509
6-(1,3-benzodioxol-5-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine
CID 11026115
(1-benzylpiperidin-4-yl)methanethiol
CID 88901626
2-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methyl-1,2-benzoxazol-3-one
CID 22068236
6-[(4-bromophenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
CID 73212264
1-(1,3-benzodioxol-5-ylmethyl)-3-[(1-benzylpiperidin-4-yl)methyl]-1-methylurea
CID 47873977
(2R)-2-(1,3-benzodioxol-5-yl)-6-[2-(1-benzylpiperidin-4-yl)ethyl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
CID 171350976
3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 19108487
6-[2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]ethyl]-5-methyl-5H-[1,3]dioxolo[4,5-f]isoindol-7-one
CID 72943761
1-benzyl-N,N-dicyclopropylpiperidin-4-amine
CID 11097616
N-benzyl-2-(1-benzylpiperidin-4-yl)ethanamine;hydrochloride
CID 14096838
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-2-phenylacetamide
CID 11163946

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-benzylpiperidin-4-yl)ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole?
The IUPAC name of 6-[2-(1-benzylpiperidin-4-yl)ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole (CID 141348603) is 6-[2-(1-benzylpiperidin-4-yl)ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole.
What is the SMILES notation for 6-[2-(1-benzylpiperidin-4-yl)ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole?
The canonical SMILES for 6-[2-(1-benzylpiperidin-4-yl)ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole is c1ccc(CN2CCC(CCN3Cc4cc5c(cc4C3)OCO5)CC2)cc1.
What is the InChIKey of 6-[2-(1-benzylpiperidin-4-yl)ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole?
The InChIKey is XBDNFTVOJWVHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-2-4-19(5-3-1)14-24-9-6-18(7-10-24)8-11-25-15-20-12-22-23(27-17-26-22)13-21(20)16-25/h1-5,12-13,18H,6-11,14-17H2.
What are the key properties of 6-[2-(1-benzylpiperidin-4-yl)ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole?
6-[2-(1-benzylpiperidin-4-yl)ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole has a molecular weight of 364.49 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-benzylpiperidin-4-yl)ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole is sourced from PubChem (CID 141348603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).