1-[2-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]-N,N-dimethylmethanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N,N-dimethylmethanamine

C86H120N14O8S2 — CID 158566524

About 1-[2-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]-N,N-dimethylmethanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N,N-dimethylmethanamine

1-[2-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]-N,N-dimethylmethanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N,N-dimethylmethanamine (PubChem CID 158566524) has the molecular formula C86H120N14O8S2 and a molecular weight of 1542.13 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]-N,N-dimethylmethanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

• Compound Name: 1-[2-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]-N,N-dimethylmethanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N,N-dimethylmethanamine
• PubChem CID: 158566524
• Molecular Formula: C86H120N14O8S2
• Molecular Weight: 1542.13 g/mol
• Exact Mass: 1540.89
• IUPAC Name: 1-[2-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]-N,N-dimethylmethanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N,N-dimethylmethanamine
• SMILES: CC(=O)N1CCC(CN(C)C)(c2c[nH]c3ccccc23)CC1.CC(=O)N1CCC(CO)(c2c[nH]c3ccccc23)CC1.CC(=O)N1CCC(c2c[nH]c3ccccc23)CC1CN(C)C.CN(C)CC1(c2c[nH]c3ccccc23)CCN(S(C)(=O)=O)CC1.CN(C)CC1CC(c2c[nH]c3ccccc23)CCN1S(C)(=O)=O
• InChI: InChI=1S/2C18H25N3O.2C17H25N3O2S.C16H20N2O2/c1-14(22)21-10-8-18(9-11-21,13-20(2)3)16-12-19-17-7-5-4-6-15(16)17;1-13(22)21-9-8-14(10-15(21)12-20(2)3)17-11-19-18-7-5-4-6-16(17)18;1-19(2)13-17(8-10-20(11-9-17)23(3,21)22)15-12-18-16-7-5-4-6-14(15)16;1-19(2)12-14-10-13(8-9-20(14)23(3,21)22)16-11-18-17-7-5-4-6-15(16)17;1-12(20)18-8-6-16(11-19,7-9-18)14-10-17-15-5-3-2-4-13(14)15/h4-7,12,19H,8-11,13H2,1-3H3;4-7,11,14-15,19H,8-10,12H2,1-3H3;4-7,12,18H,8-11,13H2,1-3H3;4-7,11,13-14,18H,8-10,12H2,1-3H3;2-5,10,17,19H,6-9,11H2,1H3
• InChIKey: HRNWQRYFBUMSEL-UHFFFAOYSA-N
• XLogP: 11.73
• TPSA: 247.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1542.13
LogP ≤ 5	11.73
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]-N,N-dimethylmethanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N,N-dimethylmethanamine?

The IUPAC name of 1-[2-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]-N,N-dimethylmethanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N,N-dimethylmethanamine (CID 158566524) is 1-[2-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]-N,N-dimethylmethanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N,N-dimethylmethanamine.

What is the SMILES notation for 1-[2-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]-N,N-dimethylmethanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N,N-dimethylmethanamine?

The canonical SMILES for 1-[2-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]-N,N-dimethylmethanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N,N-dimethylmethanamine is CC(=O)N1CCC(CN(C)C)(c2c[nH]c3ccccc23)CC1.CC(=O)N1CCC(CO)(c2c[nH]c3ccccc23)CC1.CC(=O)N1CCC(c2c[nH]c3ccccc23)CC1CN(C)C.CN(C)CC1(c2c[nH]c3ccccc23)CCN(S(C)(=O)=O)CC1.CN(C)CC1CC(c2c[nH]c3ccccc23)CCN1S(C)(=O)=O.

What is the InChIKey of 1-[2-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]-N,N-dimethylmethanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N,N-dimethylmethanamine?

The InChIKey is HRNWQRYFBUMSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H25N3O.2C17H25N3O2S.C16H20N2O2/c1-14(22)21-10-8-18(9-11-21,13-20(2)3)16-12-19-17-7-5-4-6-15(16)17;1-13(22)21-9-8-14(10-15(21)12-20(2)3)17-11-19-18-7-5-4-6-16(17)18;1-19(2)13-17(8-10-20(11-9-17)23(3,21)22)15-12-18-16-7-5-4-6-14(15)16;1-19(2)12-14-10-13(8-9-20(14)23(3,21)22)16-11-18-17-7-5-4-6-15(16)17;1-12(20)18-8-6-16(11-19,7-9-18)14-10-17-15-5-3-2-4-13(14)15/h4-7,12,19H,8-11,13H2,1-3H3;4-7,11,14-15,19H,8-10,12H2,1-3H3;4-7,12,18H,8-11,13H2,1-3H3;4-7,11,13-14,18H,8-10,12H2,1-3H3;2-5,10,17,19H,6-9,11H2,1H3.

What are the key properties of 1-[2-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]-N,N-dimethylmethanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N,N-dimethylmethanamine?

1-[2-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]-N,N-dimethylmethanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N,N-dimethylmethanamine has a molecular weight of 1542.13 g/mol, XLogP of 11.73, 16 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]-N,N-dimethylmethanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 158566524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).