4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyridine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyridine;4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyrimidine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyrimidine;4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylpyridine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylpyridine

C158H174N14O12 — CID 159060844

About 4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyridine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyridine;4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyrimidine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyrimidine;4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylpyridine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylpyridine

4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyridine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyridine;4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyrimidine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyrimidine;4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylpyridine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylpyridine (PubChem CID 159060844) has the molecular formula C158H174N14O12 and a molecular weight of 2461.22 g/mol. Its IUPAC name is 4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyridine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyridine;4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyrimidine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyrimidine;4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylpyridine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylpyridine.

Molecular Properties

• Compound Name: 4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyridine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyridine;4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyrimidine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyrimidine;4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylpyridine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylpyridine
• PubChem CID: 159060844
• Molecular Formula: C158H174N14O12
• Molecular Weight: 2461.22 g/mol
• Exact Mass: 2459.34
• IUPAC Name: 4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyridine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyridine;4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyrimidine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyrimidine;4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylpyridine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylpyridine
• SMILES: Cc1cc(Cc2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)cc(C)n1.Cc1cc(Cc2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)ccn1.Cc1cc(Cc2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)nc(C)n1.Cc1cc(Cc2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)cc(C)n1.Cc1cc(Cc2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)ccn1.Cc1cc(Cc2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)nc(C)n1
• InChI: InChI=1S/2C27H30N2O2.2C26H29N3O2.2C26H28N2O2/c2*1-19-14-23(15-20(2)28-19)16-21-5-7-22(8-6-21)18-29-11-3-4-25(29)24-9-10-26-27(17-24)31-13-12-30-26;2*1-18-14-23(28-19(2)27-18)15-20-5-7-21(8-6-20)17-29-11-3-4-24(29)22-9-10-25-26(16-22)31-13-12-30-25;2*1-19-15-22(10-11-27-19)16-20-4-6-21(7-5-20)18-28-12-2-3-24(28)23-8-9-25-26(17-23)30-14-13-29-25/h2*5-10,14-15,17,25H,3-4,11-13,16,18H2,1-2H3;2*5-10,14,16,24H,3-4,11-13,15,17H2,1-2H3;2*4-11,15,17,24H,2-3,12-14,16,18H2,1H3/t2*25-;4*24-/m101010/s1
• InChIKey: JYLHDJISEWDMBM-GGNPSBGJSA-N
• XLogP: 30.56
• TPSA: 233.32 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 30
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2461.22
LogP ≤ 5	30.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyridine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyridine;4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyrimidine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyrimidine;4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylpyridine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylpyridine?

The IUPAC name of 4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyridine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyridine;4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyrimidine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyrimidine;4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylpyridine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylpyridine (CID 159060844) is 4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyridine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyridine;4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyrimidine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyrimidine;4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylpyridine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylpyridine.

What is the SMILES notation for 4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyridine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyridine;4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyrimidine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyrimidine;4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylpyridine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylpyridine?

The canonical SMILES for 4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyridine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyridine;4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyrimidine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyrimidine;4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylpyridine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylpyridine is Cc1cc(Cc2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)cc(C)n1.Cc1cc(Cc2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)ccn1.Cc1cc(Cc2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)nc(C)n1.Cc1cc(Cc2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)cc(C)n1.Cc1cc(Cc2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)ccn1.Cc1cc(Cc2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)nc(C)n1.

What is the InChIKey of 4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyridine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyridine;4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyrimidine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyrimidine;4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylpyridine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylpyridine?

The InChIKey is JYLHDJISEWDMBM-GGNPSBGJSA-N. The full InChI is InChI=1S/2C27H30N2O2.2C26H29N3O2.2C26H28N2O2/c2*1-19-14-23(15-20(2)28-19)16-21-5-7-22(8-6-21)18-29-11-3-4-25(29)24-9-10-26-27(17-24)31-13-12-30-26;2*1-18-14-23(28-19(2)27-18)15-20-5-7-21(8-6-20)17-29-11-3-4-24(29)22-9-10-25-26(16-22)31-13-12-30-25;2*1-19-15-22(10-11-27-19)16-20-4-6-21(7-5-20)18-28-12-2-3-24(28)23-8-9-25-26(17-23)30-14-13-29-25/h2*5-10,14-15,17,25H,3-4,11-13,16,18H2,1-2H3;2*5-10,14,16,24H,3-4,11-13,15,17H2,1-2H3;2*4-11,15,17,24H,2-3,12-14,16,18H2,1H3/t2*25-;4*24-/m101010/s1.

What are the key properties of 4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyridine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyridine;4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyrimidine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyrimidine;4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylpyridine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylpyridine?

4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyridine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyridine;4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyrimidine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyrimidine;4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylpyridine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylpyridine has a molecular weight of 2461.22 g/mol, XLogP of 30.56, 30 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyridine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyridine;4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyrimidine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2,6-dimethylpyrimidine;4-[[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylpyridine;4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylpyridine is sourced from PubChem (CID 159060844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).