1-[2-(hydroxymethyl)-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;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol

C79H105N11O12S3 — CID 158760829

IUPAC1-[2-(hydroxymethyl)-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;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol
SMILESCC(=O)N1CCC(CO)(c2c[nH]c3ccccc23)CC1.CC(=O)N1CCC(c2c[nH]c3ccccc23)CC1CO.CN(C)CC1CC(c2c[nH]c3ccccc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCC(CO)(c2c[nH]c3ccccc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1CO
InChIInChI=1S/C17H25N3O2S.2C16H20N2O2.2C15H20N2O3S/c1-19(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;1-11(20)18-7-6-12(8-13(18)10-19)15-9-17-16-5-3-2-4-14(15)16;1-21(19,20)17-8-6-15(11-18,7-9-17)13-10-16-14-5-3-2-4-12(13)14;1-21(19,20)17-7-6-11(8-12(17)10-18)14-9-16-15-5-3-2-4-13(14)15/h4-7,11,13-14,18H,8-10,12H2,1-3H3;2-5,10,17,19H,6-9,11H2,1H3;2-5,9,12-13,17,19H,6-8,10H2,1H3;2-5,10,16,18H,6-9,11H2,1H3;2-5,9,11-12,16,18H,6-8,10H2,1H3
InChIKeyIOQKFPDKDOARKG-UHFFFAOYSA-N
MW1496.97 g/mol
LogP9.65
Rot. Bonds14

About 1-[2-(hydroxymethyl)-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;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol

1-[2-(hydroxymethyl)-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;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol (PubChem CID 158760829) has the molecular formula C79H105N11O12S3 and a molecular weight of 1496.97 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-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;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-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;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol
PubChem CID158760829
Molecular FormulaC79H105N11O12S3
Molecular Weight1496.97 g/mol
Exact Mass1495.71
IUPAC Name1-[2-(hydroxymethyl)-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;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol
SMILESCC(=O)N1CCC(CO)(c2c[nH]c3ccccc23)CC1.CC(=O)N1CCC(c2c[nH]c3ccccc23)CC1CO.CN(C)CC1CC(c2c[nH]c3ccccc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCC(CO)(c2c[nH]c3ccccc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1CO
InChIInChI=1S/C17H25N3O2S.2C16H20N2O2.2C15H20N2O3S/c1-19(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;1-11(20)18-7-6-12(8-13(18)10-19)15-9-17-16-5-3-2-4-14(15)16;1-21(19,20)17-8-6-15(11-18,7-9-17)13-10-16-14-5-3-2-4-12(13)14;1-21(19,20)17-7-6-11(8-12(17)10-18)14-9-16-15-5-3-2-4-13(14)15/h4-7,11,13-14,18H,8-10,12H2,1-3H3;2-5,10,17,19H,6-9,11H2,1H3;2-5,9,12-13,17,19H,6-8,10H2,1H3;2-5,10,16,18H,6-9,11H2,1H3;2-5,9,11-12,16,18H,6-8,10H2,1H3
InChIKeyIOQKFPDKDOARKG-UHFFFAOYSA-N
XLogP9.65
TPSA315.87 Ų
H-Bond Donors9
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001496.97
LogP ≤ 59.65
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1013

Analyze 1-[2-(hydroxymethyl)-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;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol with MolForge

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Related Compounds

6-fluoro-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;4-(1H-indol-3-yl)-N-methylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2-methylpiperazin-1-yl]ethanone
CID 157598311
1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-(methylaminomethyl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-4-(methylaminomethyl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N-methylmethanamine
CID 157272117
1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanamine;1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone
CID 157301954
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide;2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
CID 157329521
3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;2-(1H-indol-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;4-(1H-indol-3-yl)-1-methylpiperazin-2-one;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one
CID 157440378
1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol
CID 157507933
1-[4-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-(methylaminomethyl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N,N-dimethylmethanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]-N-methylmethanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N-methylmethanamine
CID 157582920
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-(1H-indol-3-yl)-2-(methylaminomethyl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N,N-dimethylmethanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]-N-methylmethanamine
CID 157600400
1-[2-[(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;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol
CID 157659824
1-[4-(1H-indol-3-yl)-2-(methylaminomethyl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-4-(methylaminomethyl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]-N-methylmethanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N-methylmethanamine
CID 157832826
1-[2-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[2-(hydroxymethyl)-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;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol
CID 158169763
1-[4-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-(methylaminomethyl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-4-(methylaminomethyl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]-N-methylmethanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N-methylmethanamine
CID 158320028

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-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;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol?
The IUPAC name of 1-[2-(hydroxymethyl)-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;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol (CID 158760829) is 1-[2-(hydroxymethyl)-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;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol.
What is the SMILES notation for 1-[2-(hydroxymethyl)-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;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol?
The canonical SMILES for 1-[2-(hydroxymethyl)-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;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol is CC(=O)N1CCC(CO)(c2c[nH]c3ccccc23)CC1.CC(=O)N1CCC(c2c[nH]c3ccccc23)CC1CO.CN(C)CC1CC(c2c[nH]c3ccccc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCC(CO)(c2c[nH]c3ccccc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)-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;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol?
The InChIKey is IOQKFPDKDOARKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S.2C16H20N2O2.2C15H20N2O3S/c1-19(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;1-11(20)18-7-6-12(8-13(18)10-19)15-9-17-16-5-3-2-4-14(15)16;1-21(19,20)17-8-6-15(11-18,7-9-17)13-10-16-14-5-3-2-4-12(13)14;1-21(19,20)17-7-6-11(8-12(17)10-18)14-9-16-15-5-3-2-4-13(14)15/h4-7,11,13-14,18H,8-10,12H2,1-3H3;2-5,10,17,19H,6-9,11H2,1H3;2-5,9,12-13,17,19H,6-8,10H2,1H3;2-5,10,16,18H,6-9,11H2,1H3;2-5,9,11-12,16,18H,6-8,10H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)-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;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol?
1-[2-(hydroxymethyl)-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;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol has a molecular weight of 1496.97 g/mol, XLogP of 9.65, 14 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-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;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol is sourced from PubChem (CID 158760829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).