1,4-dimethylpiperazine;ethyl (2S)-2-(methylamino)-3-phenylpropanoate;ethyl (2S)-2-(methylamino)propanoate;4-methoxy-N-methylaniline;1-[4-(methylamino)phenyl]ethanone;N-methyl-1,3-benzodioxol-5-amine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)ethanone;trans-(2R,5S)-N,5-dimethyl-2-propan-2-ylcyclohexan-1-amine

C72H123N11O10 — CID 159587315

About 1,4-dimethylpiperazine;ethyl (2S)-2-(methylamino)-3-phenylpropanoate;ethyl (2S)-2-(methylamino)propanoate;4-methoxy-N-methylaniline;1-[4-(methylamino)phenyl]ethanone;N-methyl-1,3-benzodioxol-5-amine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)ethanone;trans-(2R,5S)-N,5-dimethyl-2-propan-2-ylcyclohexan-1-amine

1,4-dimethylpiperazine;ethyl (2S)-2-(methylamino)-3-phenylpropanoate;ethyl (2S)-2-(methylamino)propanoate;4-methoxy-N-methylaniline;1-[4-(methylamino)phenyl]ethanone;N-methyl-1,3-benzodioxol-5-amine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)ethanone;trans-(2R,5S)-N,5-dimethyl-2-propan-2-ylcyclohexan-1-amine (PubChem CID 159587315) has the molecular formula C72H123N11O10 and a molecular weight of 1302.84 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;ethyl (2S)-2-(methylamino)-3-phenylpropanoate;ethyl (2S)-2-(methylamino)propanoate;4-methoxy-N-methylaniline;1-[4-(methylamino)phenyl]ethanone;N-methyl-1,3-benzodioxol-5-amine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)ethanone;trans-(2R,5S)-N,5-dimethyl-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

• Compound Name: 1,4-dimethylpiperazine;ethyl (2S)-2-(methylamino)-3-phenylpropanoate;ethyl (2S)-2-(methylamino)propanoate;4-methoxy-N-methylaniline;1-[4-(methylamino)phenyl]ethanone;N-methyl-1,3-benzodioxol-5-amine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)ethanone;trans-(2R,5S)-N,5-dimethyl-2-propan-2-ylcyclohexan-1-amine
• PubChem CID: 159587315
• Molecular Formula: C72H123N11O10
• Molecular Weight: 1302.84 g/mol
• Exact Mass: 1301.95
• IUPAC Name: 1,4-dimethylpiperazine;ethyl (2S)-2-(methylamino)-3-phenylpropanoate;ethyl (2S)-2-(methylamino)propanoate;4-methoxy-N-methylaniline;1-[4-(methylamino)phenyl]ethanone;N-methyl-1,3-benzodioxol-5-amine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)ethanone;trans-(2R,5S)-N,5-dimethyl-2-propan-2-ylcyclohexan-1-amine
• SMILES: CC(=O)N1CCN(C)CC1.CCOC(=O)[C@H](C)NC.CCOC(=O)[C@H](Cc1ccccc1)NC.CN1CCN(C)CC1.CN1CCOCC1.CNC1C[C@@H](C)CC[C@@H]1C(C)C.CNc1ccc(C(C)=O)cc1.CNc1ccc(OC)cc1.CNc1ccc2c(c1)OCO2
• InChI: InChI=1S/C12H17NO2.C11H23N.C9H11NO.C8H9NO2.C8H11NO.C7H14N2O.C6H14N2.C6H13NO2.C5H11NO/c1-3-15-12(14)11(13-2)9-10-7-5-4-6-8-10;1-8(2)10-6-5-9(3)7-11(10)12-4;1-7(11)8-3-5-9(10-2)6-4-8;1-9-6-2-3-7-8(4-6)11-5-10-7;1-9-7-3-5-8(10-2)6-4-7;1-7(10)9-5-3-8(2)4-6-9;1-7-3-5-8(2)6-4-7;1-4-9-6(8)5(2)7-3;1-6-2-4-7-5-3-6/h4-8,11,13H,3,9H2,1-2H3;8-12H,5-7H2,1-4H3;3-6,10H,1-2H3;2-4,9H,5H2,1H3;3-6,9H,1-2H3;3-6H2,1-2H3;3-6H2,1-2H3;5,7H,4H2,1-3H3;2-5H2,1H3/t11-;9-,10+,11?;;;;;;5-;/m00.....0./s1
• InChIKey: MJUAWXYHQCPOLP-YNGUITNOSA-N
• XLogP: 8.92
• TPSA: 212.04 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1302.84
LogP ≤ 5	8.92
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;ethyl (2S)-2-(methylamino)-3-phenylpropanoate;ethyl (2S)-2-(methylamino)propanoate;4-methoxy-N-methylaniline;1-[4-(methylamino)phenyl]ethanone;N-methyl-1,3-benzodioxol-5-amine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)ethanone;trans-(2R,5S)-N,5-dimethyl-2-propan-2-ylcyclohexan-1-amine?

The IUPAC name of 1,4-dimethylpiperazine;ethyl (2S)-2-(methylamino)-3-phenylpropanoate;ethyl (2S)-2-(methylamino)propanoate;4-methoxy-N-methylaniline;1-[4-(methylamino)phenyl]ethanone;N-methyl-1,3-benzodioxol-5-amine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)ethanone;trans-(2R,5S)-N,5-dimethyl-2-propan-2-ylcyclohexan-1-amine (CID 159587315) is 1,4-dimethylpiperazine;ethyl (2S)-2-(methylamino)-3-phenylpropanoate;ethyl (2S)-2-(methylamino)propanoate;4-methoxy-N-methylaniline;1-[4-(methylamino)phenyl]ethanone;N-methyl-1,3-benzodioxol-5-amine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)ethanone;trans-(2R,5S)-N,5-dimethyl-2-propan-2-ylcyclohexan-1-amine.

What is the SMILES notation for 1,4-dimethylpiperazine;ethyl (2S)-2-(methylamino)-3-phenylpropanoate;ethyl (2S)-2-(methylamino)propanoate;4-methoxy-N-methylaniline;1-[4-(methylamino)phenyl]ethanone;N-methyl-1,3-benzodioxol-5-amine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)ethanone;trans-(2R,5S)-N,5-dimethyl-2-propan-2-ylcyclohexan-1-amine?

The canonical SMILES for 1,4-dimethylpiperazine;ethyl (2S)-2-(methylamino)-3-phenylpropanoate;ethyl (2S)-2-(methylamino)propanoate;4-methoxy-N-methylaniline;1-[4-(methylamino)phenyl]ethanone;N-methyl-1,3-benzodioxol-5-amine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)ethanone;trans-(2R,5S)-N,5-dimethyl-2-propan-2-ylcyclohexan-1-amine is CC(=O)N1CCN(C)CC1.CCOC(=O)[C@H](C)NC.CCOC(=O)[C@H](Cc1ccccc1)NC.CN1CCN(C)CC1.CN1CCOCC1.CNC1C[C@@H](C)CC[C@@H]1C(C)C.CNc1ccc(C(C)=O)cc1.CNc1ccc(OC)cc1.CNc1ccc2c(c1)OCO2.

What is the InChIKey of 1,4-dimethylpiperazine;ethyl (2S)-2-(methylamino)-3-phenylpropanoate;ethyl (2S)-2-(methylamino)propanoate;4-methoxy-N-methylaniline;1-[4-(methylamino)phenyl]ethanone;N-methyl-1,3-benzodioxol-5-amine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)ethanone;trans-(2R,5S)-N,5-dimethyl-2-propan-2-ylcyclohexan-1-amine?

The InChIKey is MJUAWXYHQCPOLP-YNGUITNOSA-N. The full InChI is InChI=1S/C12H17NO2.C11H23N.C9H11NO.C8H9NO2.C8H11NO.C7H14N2O.C6H14N2.C6H13NO2.C5H11NO/c1-3-15-12(14)11(13-2)9-10-7-5-4-6-8-10;1-8(2)10-6-5-9(3)7-11(10)12-4;1-7(11)8-3-5-9(10-2)6-4-8;1-9-6-2-3-7-8(4-6)11-5-10-7;1-9-7-3-5-8(10-2)6-4-7;1-7(10)9-5-3-8(2)4-6-9;1-7-3-5-8(2)6-4-7;1-4-9-6(8)5(2)7-3;1-6-2-4-7-5-3-6/h4-8,11,13H,3,9H2,1-2H3;8-12H,5-7H2,1-4H3;3-6,10H,1-2H3;2-4,9H,5H2,1H3;3-6,9H,1-2H3;3-6H2,1-2H3;3-6H2,1-2H3;5,7H,4H2,1-3H3;2-5H2,1H3/t11-;9-,10+,11?;;;;;;5-;/m00.....0./s1.

What are the key properties of 1,4-dimethylpiperazine;ethyl (2S)-2-(methylamino)-3-phenylpropanoate;ethyl (2S)-2-(methylamino)propanoate;4-methoxy-N-methylaniline;1-[4-(methylamino)phenyl]ethanone;N-methyl-1,3-benzodioxol-5-amine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)ethanone;trans-(2R,5S)-N,5-dimethyl-2-propan-2-ylcyclohexan-1-amine?

1,4-dimethylpiperazine;ethyl (2S)-2-(methylamino)-3-phenylpropanoate;ethyl (2S)-2-(methylamino)propanoate;4-methoxy-N-methylaniline;1-[4-(methylamino)phenyl]ethanone;N-methyl-1,3-benzodioxol-5-amine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)ethanone;trans-(2R,5S)-N,5-dimethyl-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 1302.84 g/mol, XLogP of 8.92, 15 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethylpiperazine;ethyl (2S)-2-(methylamino)-3-phenylpropanoate;ethyl (2S)-2-(methylamino)propanoate;4-methoxy-N-methylaniline;1-[4-(methylamino)phenyl]ethanone;N-methyl-1,3-benzodioxol-5-amine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)ethanone;trans-(2R,5S)-N,5-dimethyl-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 159587315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).