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

C127H135N11O10 — CID 159577356

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

4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2,6-dimethylpyridine;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2,6-dimethylpyridine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2,6-dimethylpyrimidine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine (PubChem CID 159577356) has the molecular formula C127H135N11O10 and a molecular weight of 1975.54 g/mol. Its IUPAC name is 4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2,6-dimethylpyridine;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2,6-dimethylpyridine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2,6-dimethylpyrimidine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine.

Molecular Properties

• Compound Name: 4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2,6-dimethylpyridine;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2,6-dimethylpyridine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2,6-dimethylpyrimidine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine
• PubChem CID: 159577356
• Molecular Formula: C127H135N11O10
• Molecular Weight: 1975.54 g/mol
• Exact Mass: 1974.04
• IUPAC Name: 4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2,6-dimethylpyridine;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2,6-dimethylpyridine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2,6-dimethylpyrimidine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine
• SMILES: Cc1cc(-c2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)cc(C)n1.Cc1cc(-c2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)ccn1.Cc1cc(-c2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)cc(C)n1.Cc1cc(-c2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)ccn1.Cc1cc(-c2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)nc(C)n1
• InChI: InChI=1S/2C26H28N2O2.C25H27N3O2.2C25H26N2O2/c2*1-18-14-23(15-19(2)27-18)21-7-5-20(6-8-21)17-28-11-3-4-24(28)22-9-10-25-26(16-22)30-13-12-29-25;1-17-14-22(27-18(2)26-17)20-7-5-19(6-8-20)16-28-11-3-4-23(28)21-9-10-24-25(15-21)30-13-12-29-24;2*1-18-15-21(10-11-26-18)20-6-4-19(5-7-20)17-27-12-2-3-23(27)22-8-9-24-25(16-22)29-14-13-28-24/h2*5-10,14-16,24H,3-4,11-13,17H2,1-2H3;5-10,14-15,23H,3-4,11-13,16H2,1-2H3;2*4-11,15-16,23H,2-3,12-14,17H2,1H3/t2*24-;3*23-/m10010/s1
• InChIKey: MIOPUNDDMLCBNS-SMMMDQDCSA-N
• XLogP: 26.15
• TPSA: 185.84 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1975.54
LogP ≤ 5	26.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

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

The IUPAC name of 4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2,6-dimethylpyridine;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2,6-dimethylpyridine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2,6-dimethylpyrimidine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine (CID 159577356) is 4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2,6-dimethylpyridine;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2,6-dimethylpyridine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2,6-dimethylpyrimidine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-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]-2,6-dimethylpyridine;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2,6-dimethylpyridine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2,6-dimethylpyrimidine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine?

The canonical SMILES for 4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2,6-dimethylpyridine;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2,6-dimethylpyridine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2,6-dimethylpyrimidine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine is Cc1cc(-c2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)cc(C)n1.Cc1cc(-c2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)ccn1.Cc1cc(-c2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)cc(C)n1.Cc1cc(-c2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)ccn1.Cc1cc(-c2ccc(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]-2,6-dimethylpyridine;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2,6-dimethylpyridine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2,6-dimethylpyrimidine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine?

The InChIKey is MIOPUNDDMLCBNS-SMMMDQDCSA-N. The full InChI is InChI=1S/2C26H28N2O2.C25H27N3O2.2C25H26N2O2/c2*1-18-14-23(15-19(2)27-18)21-7-5-20(6-8-21)17-28-11-3-4-24(28)22-9-10-25-26(16-22)30-13-12-29-25;1-17-14-22(27-18(2)26-17)20-7-5-19(6-8-20)16-28-11-3-4-23(28)21-9-10-24-25(15-21)30-13-12-29-24;2*1-18-15-21(10-11-26-18)20-6-4-19(5-7-20)17-27-12-2-3-23(27)22-8-9-24-25(16-22)29-14-13-28-24/h2*5-10,14-16,24H,3-4,11-13,17H2,1-2H3;5-10,14-15,23H,3-4,11-13,16H2,1-2H3;2*4-11,15-16,23H,2-3,12-14,17H2,1H3/t2*24-;3*23-/m10010/s1.

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

4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2,6-dimethylpyridine;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2,6-dimethylpyridine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2,6-dimethylpyrimidine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine has a molecular weight of 1975.54 g/mol, XLogP of 26.15, 20 rotatable bonds, 0 hydrogen bond donors, and 21 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]-2,6-dimethylpyridine;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2,6-dimethylpyridine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2,6-dimethylpyrimidine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine is sourced from PubChem (CID 159577356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).