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;1-methyl-4-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[(2S)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol

C113H186N20O12 — CID 167692521

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;1-methyl-4-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[(2S)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol
SMILESCC(C)c1ccc(C2CCOC2)c(N2CCN(C)CC2)n1.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(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
InChIInChI=1S/3C18H31N3O2.C17H27N3O.C16H26N4O.2C13H20N2O2/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;1-13(2)16-5-4-15(14-6-11-21-12-14)17(18-16)20-9-7-19(3)8-10-20;1-12(2)13-6-7-15(14(17-13)10-18(3)4)20-9-8-19(5)16(21)11-20;2*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;4-5,13-14H,6-12H2,1-3H3;6-7,12H,8-11H2,1-5H3;2*3-4,7,10,12,16H,5-6,8-9H2,1-2H3/t2*17-;;;;2*12-/m10...10/s1
InChIKeyXDVMZRBAVOIXPI-PYQKPKERSA-N
MW2016.86 g/mol
LogP13.54
Rot. Bonds28

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;1-methyl-4-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine;[(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-[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;1-methyl-4-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[(2S)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol (PubChem CID 167692521) has the molecular formula C113H186N20O12 and a molecular weight of 2016.86 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;1-methyl-4-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[(2S)-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;1-methyl-4-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[(2S)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol
PubChem CID167692521
Molecular FormulaC113H186N20O12
Molecular Weight2016.86 g/mol
Exact Mass2015.46
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;1-methyl-4-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[(2S)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol
SMILESCC(C)c1ccc(C2CCOC2)c(N2CCN(C)CC2)n1.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(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
InChIInChI=1S/3C18H31N3O2.C17H27N3O.C16H26N4O.2C13H20N2O2/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;1-13(2)16-5-4-15(14-6-11-21-12-14)17(18-16)20-9-7-19(3)8-10-20;1-12(2)13-6-7-15(14(17-13)10-18(3)4)20-9-8-19(5)16(21)11-20;2*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;4-5,13-14H,6-12H2,1-3H3;6-7,12H,8-11H2,1-5H3;2*3-4,7,10,12,16H,5-6,8-9H2,1-2H3/t2*17-;;;;2*12-/m10...10/s1
InChIKeyXDVMZRBAVOIXPI-PYQKPKERSA-N
XLogP13.54
TPSA305.95 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds28
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002016.86
LogP ≤ 513.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

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;1-methyl-4-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[(2S)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;1-methyl-4-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[(2S)-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;1-methyl-4-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[(2S)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol (CID 167692521) 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;1-methyl-4-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[(2S)-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;1-methyl-4-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[(2S)-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;1-methyl-4-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[(2S)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol is CC(C)c1ccc(C2CCOC2)c(N2CCN(C)CC2)n1.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(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.
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;1-methyl-4-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[(2S)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol?
The InChIKey is XDVMZRBAVOIXPI-PYQKPKERSA-N. The full InChI is InChI=1S/3C18H31N3O2.C17H27N3O.C16H26N4O.2C13H20N2O2/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;1-13(2)16-5-4-15(14-6-11-21-12-14)17(18-16)20-9-7-19(3)8-10-20;1-12(2)13-6-7-15(14(17-13)10-18(3)4)20-9-8-19(5)16(21)11-20;2*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;4-5,13-14H,6-12H2,1-3H3;6-7,12H,8-11H2,1-5H3;2*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;1-methyl-4-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine;[(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-[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;1-methyl-4-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[(2S)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol has a molecular weight of 2016.86 g/mol, XLogP of 13.54, 28 rotatable bonds, 5 hydrogen bond donors, and 31 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;1-methyl-4-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine;[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol;[(2S)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methanol is sourced from PubChem (CID 167692521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).