4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-1-methylpiperazin-2-one;2-[(2S)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[(2R)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;5-(4-methoxypiperidin-1-yl)-2-propan-2-ylpyridine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[(2S)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol

C123H201N21O14 — CID 159225701

IUPAC4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-1-methylpiperazin-2-one;2-[(2S)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[(2R)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;5-(4-methoxypiperidin-1-yl)-2-propan-2-ylpyridine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[(2S)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol
SMILESCC(C)c1ccc(N2CCN(C)C(=O)C2)c(CN(C)C)n1.CC(C)c1ccc(N2CCOC(C(C)(C)O)C2)c(CN(C)C)n1.CC(C)c1ccc(N2CCOC(CO)C2)cn1.CC(C)c1ccc(N2CCO[C@@H](C(C)(C)O)C2)c(CN(C)C)n1.CC(C)c1ccc(N2CCO[C@@H](CO)C2)cn1.CC(C)c1ccc(N2CCO[C@H](C(C)(C)O)C2)c(CN(C)C)n1.CC(C)c1ccc(N2CCO[C@H](CO)C2)cn1.COC1CCN(c2ccc(C(C)C)nc2)CC1
InChIInChI=1S/3C18H31N3O2.C16H26N4O.C14H22N2O.3C13H20N2O2/c3*1-13(2)14-7-8-16(15(19-14)11-20(5)6)21-9-10-23-17(12-21)18(3,4)22;1-12(2)13-6-7-15(14(17-13)10-18(3)4)20-9-8-19(5)16(21)11-20;1-11(2)14-5-4-12(10-15-14)16-8-6-13(17-3)7-9-16;3*1-10(2)13-4-3-11(7-14-13)15-5-6-17-12(8-15)9-16/h3*7-8,13,17,22H,9-12H2,1-6H3;6-7,12H,8-11H2,1-5H3;4-5,10-11,13H,6-9H2,1-3H3;3*3-4,7,10,12,16H,5-6,8-9H2,1-2H3/t2*17-;;;;2*12-;/m10...10./s1
InChIKeyKSGHLGNZVAYQCE-OEAZPOAJSA-N
MW2198.09 g/mol
LogP15.30
Rot. Bonds31

About 4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-1-methylpiperazin-2-one;2-[(2S)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[(2R)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;5-(4-methoxypiperidin-1-yl)-2-propan-2-ylpyridine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[(2S)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol

4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-1-methylpiperazin-2-one;2-[(2S)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[(2R)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;5-(4-methoxypiperidin-1-yl)-2-propan-2-ylpyridine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[(2S)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol (PubChem CID 159225701) has the molecular formula C123H201N21O14 and a molecular weight of 2198.09 g/mol. Its IUPAC name is 4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-1-methylpiperazin-2-one;2-[(2S)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[(2R)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;5-(4-methoxypiperidin-1-yl)-2-propan-2-ylpyridine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[(2S)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-1-methylpiperazin-2-one;2-[(2S)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[(2R)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;5-(4-methoxypiperidin-1-yl)-2-propan-2-ylpyridine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[(2S)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol
PubChem CID159225701
Molecular FormulaC123H201N21O14
Molecular Weight2198.09 g/mol
Exact Mass2196.57
IUPAC Name4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-1-methylpiperazin-2-one;2-[(2S)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[(2R)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;5-(4-methoxypiperidin-1-yl)-2-propan-2-ylpyridine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[(2S)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol
SMILESCC(C)c1ccc(N2CCN(C)C(=O)C2)c(CN(C)C)n1.CC(C)c1ccc(N2CCOC(C(C)(C)O)C2)c(CN(C)C)n1.CC(C)c1ccc(N2CCOC(CO)C2)cn1.CC(C)c1ccc(N2CCO[C@@H](C(C)(C)O)C2)c(CN(C)C)n1.CC(C)c1ccc(N2CCO[C@@H](CO)C2)cn1.CC(C)c1ccc(N2CCO[C@H](C(C)(C)O)C2)c(CN(C)C)n1.CC(C)c1ccc(N2CCO[C@H](CO)C2)cn1.COC1CCN(c2ccc(C(C)C)nc2)CC1
InChIInChI=1S/3C18H31N3O2.C16H26N4O.C14H22N2O.3C13H20N2O2/c3*1-13(2)14-7-8-16(15(19-14)11-20(5)6)21-9-10-23-17(12-21)18(3,4)22;1-12(2)13-6-7-15(14(17-13)10-18(3)4)20-9-8-19(5)16(21)11-20;1-11(2)14-5-4-12(10-15-14)16-8-6-13(17-3)7-9-16;3*1-10(2)13-4-3-11(7-14-13)15-5-6-17-12(8-15)9-16/h3*7-8,13,17,22H,9-12H2,1-6H3;6-7,12H,8-11H2,1-5H3;4-5,10-11,13H,6-9H2,1-3H3;3*3-4,7,10,12,16H,5-6,8-9H2,1-2H3/t2*17-;;;;2*12-;/m10...10./s1
InChIKeyKSGHLGNZVAYQCE-OEAZPOAJSA-N
XLogP15.30
TPSA348.30 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds31
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002198.09
LogP ≤ 515.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Analyze 4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-1-methylpiperazin-2-one;2-[(2S)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[(2R)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;5-(4-methoxypiperidin-1-yl)-2-propan-2-ylpyridine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[(2S)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-1-methylpiperazin-2-one;2-[(2S)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[(2R)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;5-(4-methoxypiperidin-1-yl)-2-propan-2-ylpyridine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[(2S)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol?
The IUPAC name of 4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-1-methylpiperazin-2-one;2-[(2S)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[(2R)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;5-(4-methoxypiperidin-1-yl)-2-propan-2-ylpyridine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[(2S)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol (CID 159225701) is 4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-1-methylpiperazin-2-one;2-[(2S)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[(2R)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;5-(4-methoxypiperidin-1-yl)-2-propan-2-ylpyridine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[(2S)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol.
What is the SMILES notation for 4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-1-methylpiperazin-2-one;2-[(2S)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[(2R)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;5-(4-methoxypiperidin-1-yl)-2-propan-2-ylpyridine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[(2S)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol?
The canonical SMILES for 4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-1-methylpiperazin-2-one;2-[(2S)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[(2R)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;5-(4-methoxypiperidin-1-yl)-2-propan-2-ylpyridine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[(2S)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol is CC(C)c1ccc(N2CCN(C)C(=O)C2)c(CN(C)C)n1.CC(C)c1ccc(N2CCOC(C(C)(C)O)C2)c(CN(C)C)n1.CC(C)c1ccc(N2CCOC(CO)C2)cn1.CC(C)c1ccc(N2CCO[C@@H](C(C)(C)O)C2)c(CN(C)C)n1.CC(C)c1ccc(N2CCO[C@@H](CO)C2)cn1.CC(C)c1ccc(N2CCO[C@H](C(C)(C)O)C2)c(CN(C)C)n1.CC(C)c1ccc(N2CCO[C@H](CO)C2)cn1.COC1CCN(c2ccc(C(C)C)nc2)CC1.
What is the InChIKey of 4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-1-methylpiperazin-2-one;2-[(2S)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[(2R)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;5-(4-methoxypiperidin-1-yl)-2-propan-2-ylpyridine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[(2S)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol?
The InChIKey is KSGHLGNZVAYQCE-OEAZPOAJSA-N. The full InChI is InChI=1S/3C18H31N3O2.C16H26N4O.C14H22N2O.3C13H20N2O2/c3*1-13(2)14-7-8-16(15(19-14)11-20(5)6)21-9-10-23-17(12-21)18(3,4)22;1-12(2)13-6-7-15(14(17-13)10-18(3)4)20-9-8-19(5)16(21)11-20;1-11(2)14-5-4-12(10-15-14)16-8-6-13(17-3)7-9-16;3*1-10(2)13-4-3-11(7-14-13)15-5-6-17-12(8-15)9-16/h3*7-8,13,17,22H,9-12H2,1-6H3;6-7,12H,8-11H2,1-5H3;4-5,10-11,13H,6-9H2,1-3H3;3*3-4,7,10,12,16H,5-6,8-9H2,1-2H3/t2*17-;;;;2*12-;/m10...10./s1.
What are the key properties of 4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-1-methylpiperazin-2-one;2-[(2S)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[(2R)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;5-(4-methoxypiperidin-1-yl)-2-propan-2-ylpyridine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[(2S)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol?
4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-1-methylpiperazin-2-one;2-[(2S)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[(2R)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;5-(4-methoxypiperidin-1-yl)-2-propan-2-ylpyridine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[(2S)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol has a molecular weight of 2198.09 g/mol, XLogP of 15.30, 31 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-1-methylpiperazin-2-one;2-[(2S)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[(2R)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;5-(4-methoxypiperidin-1-yl)-2-propan-2-ylpyridine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[(2S)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol is sourced from PubChem (CID 159225701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).