1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-2H-quinoline

C24H28N2O2 — CID 140986914

IUPAC1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-2H-quinoline
SMILESC1=Cc2ccccc2N(CC2CCN(CC3COc4ccccc4O3)CC2)C1
InChIInChI=1S/C24H28N2O2/c1-2-8-22-20(6-1)7-5-13-26(22)16-19-11-14-25(15-12-19)17-21-18-27-23-9-3-4-10-24(23)28-21/h1-10,19,21H,11-18H2
InChIKeyIXXPAFTVRVNCMY-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.07
Rot. Bonds4

About 1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-2H-quinoline

1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-2H-quinoline (PubChem CID 140986914) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-2H-quinoline.

Molecular Properties

Compound Name1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-2H-quinoline
PubChem CID140986914
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-2H-quinoline
SMILESC1=Cc2ccccc2N(CC2CCN(CC3COc4ccccc4O3)CC2)C1
InChIInChI=1S/C24H28N2O2/c1-2-8-22-20(6-1)7-5-13-26(22)16-19-11-14-25(15-12-19)17-21-18-27-23-9-3-4-10-24(23)28-21/h1-10,19,21H,11-18H2
InChIKeyIXXPAFTVRVNCMY-UHFFFAOYSA-N
XLogP4.07
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-2H-quinoline 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

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol
CID 60643705
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine
CID 6040
2-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]isoindole-1,3-dione
CID 10811319
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559215
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559214
4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine;oxalic acid
CID 11189142
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine
CID 124757868
1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 55170009
2-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethylamino]ethanol
CID 123316472
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-one
CID 13253821
N-[2-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl-methylamino]ethyl]-N-methylmethanesulfonamide
CID 139802902
2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-1H-benzimidazole
CID 43817655

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-2H-quinoline?
The IUPAC name of 1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-2H-quinoline (CID 140986914) is 1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-2H-quinoline.
What is the SMILES notation for 1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-2H-quinoline?
The canonical SMILES for 1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-2H-quinoline is C1=Cc2ccccc2N(CC2CCN(CC3COc4ccccc4O3)CC2)C1.
What is the InChIKey of 1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-2H-quinoline?
The InChIKey is IXXPAFTVRVNCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-2-8-22-20(6-1)7-5-13-26(22)16-19-11-14-25(15-12-19)17-21-18-27-23-9-3-4-10-24(23)28-21/h1-10,19,21H,11-18H2.
What are the key properties of 1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-2H-quinoline?
1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-2H-quinoline has a molecular weight of 376.50 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-2H-quinoline is sourced from PubChem (CID 140986914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).