4-[5-(1,4-dimethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine;4-[4-ethyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-4-(methylsulfonylmethyl)-1H-pyrrol-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N-methylmethanamine;6-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane;3-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane

C135H147F6N19O2S — CID 164956221

IUPAC4-[5-(1,4-dimethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine;4-[4-ethyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-4-(methylsulfonylmethyl)-1H-pyrrol-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N-methylmethanamine;6-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane;3-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCCc1c(C2CCN(C)CC2)[nH]c(-c2ccc(F)cc2)c1-c1ccncc1.CN1C2CCC1CC(c1cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]1)C2.CN1CC2C(C1)C2c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1.CN1CCC(C)(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1.CN1CCC(c2[nH]c(-c3ccc(F)cc3)c(-c3ccncc3)c2CS(C)(=O)=O)CC1.CNCc1c(C2CCN(C)CC2)[nH]c(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C23H27FN4.C23H26FN3O2S.C23H24FN3.C23H26FN3.C22H24FN3.C21H20FN3/c1-25-15-20-21(16-7-11-26-12-8-16)23(17-3-5-19(24)6-4-17)27-22(20)18-9-13-28(2)14-10-18;1-27-13-9-18(10-14-27)22-20(15-30(2,28)29)21(16-7-11-25-12-8-16)23(26-22)17-3-5-19(24)6-4-17;1-27-19-6-7-20(27)13-17(12-19)22-14-21(15-8-10-25-11-9-15)23(26-22)16-2-4-18(24)5-3-16;1-3-20-21(16-8-12-25-13-9-16)23(17-4-6-19(24)7-5-17)26-22(20)18-10-14-27(2)15-11-18;1-22(9-13-26(2)14-10-22)20-15-19(16-7-11-24-12-8-16)21(25-20)17-3-5-18(23)6-4-17;1-25-11-17-18(12-25)20(17)19-10-16(13-6-8-23-9-7-13)21(24-19)14-2-4-15(22)5-3-14/h3-8,11-12,18,25,27H,9-10,13-15H2,1-2H3;3-8,11-12,18,26H,9-10,13-15H2,1-2H3;2-5,8-11,14,17,19-20,26H,6-7,12-13H2,1H3;4-9,12-13,18,26H,3,10-11,14-15H2,1-2H3;3-8,11-12,15,25H,9-10,13-14H2,1-2H3;2-10,17-18,20,24H,11-12H2,1H3
InChIKeyBEZQPXMLDNOPKS-UHFFFAOYSA-N
MW2213.85 g/mol
LogP28.15
Rot. Bonds23

About 4-[5-(1,4-dimethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine;4-[4-ethyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-4-(methylsulfonylmethyl)-1H-pyrrol-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N-methylmethanamine;6-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane;3-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane

4-[5-(1,4-dimethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine;4-[4-ethyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-4-(methylsulfonylmethyl)-1H-pyrrol-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N-methylmethanamine;6-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane;3-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 164956221) has the molecular formula C135H147F6N19O2S and a molecular weight of 2213.85 g/mol. Its IUPAC name is 4-[5-(1,4-dimethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine;4-[4-ethyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-4-(methylsulfonylmethyl)-1H-pyrrol-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N-methylmethanamine;6-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane;3-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name4-[5-(1,4-dimethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine;4-[4-ethyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-4-(methylsulfonylmethyl)-1H-pyrrol-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N-methylmethanamine;6-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane;3-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID164956221
Molecular FormulaC135H147F6N19O2S
Molecular Weight2213.85 g/mol
Exact Mass2212.16
IUPAC Name4-[5-(1,4-dimethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine;4-[4-ethyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-4-(methylsulfonylmethyl)-1H-pyrrol-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N-methylmethanamine;6-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane;3-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCCc1c(C2CCN(C)CC2)[nH]c(-c2ccc(F)cc2)c1-c1ccncc1.CN1C2CCC1CC(c1cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]1)C2.CN1CC2C(C1)C2c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1.CN1CCC(C)(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1.CN1CCC(c2[nH]c(-c3ccc(F)cc3)c(-c3ccncc3)c2CS(C)(=O)=O)CC1.CNCc1c(C2CCN(C)CC2)[nH]c(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C23H27FN4.C23H26FN3O2S.C23H24FN3.C23H26FN3.C22H24FN3.C21H20FN3/c1-25-15-20-21(16-7-11-26-12-8-16)23(17-3-5-19(24)6-4-17)27-22(20)18-9-13-28(2)14-10-18;1-27-13-9-18(10-14-27)22-20(15-30(2,28)29)21(16-7-11-25-12-8-16)23(26-22)17-3-5-19(24)6-4-17;1-27-19-6-7-20(27)13-17(12-19)22-14-21(15-8-10-25-11-9-15)23(26-22)16-2-4-18(24)5-3-16;1-3-20-21(16-8-12-25-13-9-16)23(17-4-6-19(24)7-5-17)26-22(20)18-10-14-27(2)15-11-18;1-22(9-13-26(2)14-10-22)20-15-19(16-7-11-24-12-8-16)21(25-20)17-3-5-18(23)6-4-17;1-25-11-17-18(12-25)20(17)19-10-16(13-6-8-23-9-7-13)21(24-19)14-2-4-15(22)5-3-14/h3-8,11-12,18,25,27H,9-10,13-15H2,1-2H3;3-8,11-12,18,26H,9-10,13-15H2,1-2H3;2-5,8-11,14,17,19-20,26H,6-7,12-13H2,1H3;4-9,12-13,18,26H,3,10-11,14-15H2,1-2H3;3-8,11-12,15,25H,9-10,13-14H2,1-2H3;2-10,17-18,20,24H,11-12H2,1H3
InChIKeyBEZQPXMLDNOPKS-UHFFFAOYSA-N
XLogP28.15
TPSA237.69 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds23
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002213.85
LogP ≤ 528.15
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Analyze 4-[5-(1,4-dimethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine;4-[4-ethyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-4-(methylsulfonylmethyl)-1H-pyrrol-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N-methylmethanamine;6-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane;3-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1,4-dimethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine;4-[4-ethyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-4-(methylsulfonylmethyl)-1H-pyrrol-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N-methylmethanamine;6-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane;3-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 4-[5-(1,4-dimethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine;4-[4-ethyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-4-(methylsulfonylmethyl)-1H-pyrrol-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N-methylmethanamine;6-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane;3-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane (CID 164956221) is 4-[5-(1,4-dimethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine;4-[4-ethyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-4-(methylsulfonylmethyl)-1H-pyrrol-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N-methylmethanamine;6-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane;3-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 4-[5-(1,4-dimethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine;4-[4-ethyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-4-(methylsulfonylmethyl)-1H-pyrrol-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N-methylmethanamine;6-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane;3-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 4-[5-(1,4-dimethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine;4-[4-ethyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-4-(methylsulfonylmethyl)-1H-pyrrol-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N-methylmethanamine;6-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane;3-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane is CCc1c(C2CCN(C)CC2)[nH]c(-c2ccc(F)cc2)c1-c1ccncc1.CN1C2CCC1CC(c1cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]1)C2.CN1CC2C(C1)C2c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1.CN1CCC(C)(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1.CN1CCC(c2[nH]c(-c3ccc(F)cc3)c(-c3ccncc3)c2CS(C)(=O)=O)CC1.CNCc1c(C2CCN(C)CC2)[nH]c(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 4-[5-(1,4-dimethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine;4-[4-ethyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-4-(methylsulfonylmethyl)-1H-pyrrol-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N-methylmethanamine;6-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane;3-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is BEZQPXMLDNOPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4.C23H26FN3O2S.C23H24FN3.C23H26FN3.C22H24FN3.C21H20FN3/c1-25-15-20-21(16-7-11-26-12-8-16)23(17-3-5-19(24)6-4-17)27-22(20)18-9-13-28(2)14-10-18;1-27-13-9-18(10-14-27)22-20(15-30(2,28)29)21(16-7-11-25-12-8-16)23(26-22)17-3-5-19(24)6-4-17;1-27-19-6-7-20(27)13-17(12-19)22-14-21(15-8-10-25-11-9-15)23(26-22)16-2-4-18(24)5-3-16;1-3-20-21(16-8-12-25-13-9-16)23(17-4-6-19(24)7-5-17)26-22(20)18-10-14-27(2)15-11-18;1-22(9-13-26(2)14-10-22)20-15-19(16-7-11-24-12-8-16)21(25-20)17-3-5-18(23)6-4-17;1-25-11-17-18(12-25)20(17)19-10-16(13-6-8-23-9-7-13)21(24-19)14-2-4-15(22)5-3-14/h3-8,11-12,18,25,27H,9-10,13-15H2,1-2H3;3-8,11-12,18,26H,9-10,13-15H2,1-2H3;2-5,8-11,14,17,19-20,26H,6-7,12-13H2,1H3;4-9,12-13,18,26H,3,10-11,14-15H2,1-2H3;3-8,11-12,15,25H,9-10,13-14H2,1-2H3;2-10,17-18,20,24H,11-12H2,1H3.
What are the key properties of 4-[5-(1,4-dimethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine;4-[4-ethyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-4-(methylsulfonylmethyl)-1H-pyrrol-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N-methylmethanamine;6-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane;3-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane?
4-[5-(1,4-dimethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine;4-[4-ethyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-4-(methylsulfonylmethyl)-1H-pyrrol-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N-methylmethanamine;6-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane;3-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 2213.85 g/mol, XLogP of 28.15, 23 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1,4-dimethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine;4-[4-ethyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-4-(methylsulfonylmethyl)-1H-pyrrol-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N-methylmethanamine;6-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane;3-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 164956221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).