(2R)-4-methylsulfonyl-2-phenyl-1-propan-2-ylpiperazine;(3R)-3-phenyl-4-propan-2-ylmorpholine;1-[(3R)-3-phenyl-4-propan-2-ylpiperazin-1-yl]ethanone;bis((2S)-2-phenyl-1-propan-2-ylpiperidine)

C70H105N7O4S — CID 161389955

About (2R)-4-methylsulfonyl-2-phenyl-1-propan-2-ylpiperazine;(3R)-3-phenyl-4-propan-2-ylmorpholine;1-[(3R)-3-phenyl-4-propan-2-ylpiperazin-1-yl]ethanone;bis((2S)-2-phenyl-1-propan-2-ylpiperidine)

(2R)-4-methylsulfonyl-2-phenyl-1-propan-2-ylpiperazine;(3R)-3-phenyl-4-propan-2-ylmorpholine;1-[(3R)-3-phenyl-4-propan-2-ylpiperazin-1-yl]ethanone;bis((2S)-2-phenyl-1-propan-2-ylpiperidine) (PubChem CID 161389955) has the molecular formula C70H105N7O4S and a molecular weight of 1140.72 g/mol. Its IUPAC name is (2R)-4-methylsulfonyl-2-phenyl-1-propan-2-ylpiperazine;(3R)-3-phenyl-4-propan-2-ylmorpholine;1-[(3R)-3-phenyl-4-propan-2-ylpiperazin-1-yl]ethanone;bis((2S)-2-phenyl-1-propan-2-ylpiperidine).

Molecular Properties

• Compound Name: (2R)-4-methylsulfonyl-2-phenyl-1-propan-2-ylpiperazine;(3R)-3-phenyl-4-propan-2-ylmorpholine;1-[(3R)-3-phenyl-4-propan-2-ylpiperazin-1-yl]ethanone;bis((2S)-2-phenyl-1-propan-2-ylpiperidine)
• PubChem CID: 161389955
• Molecular Formula: C70H105N7O4S
• Molecular Weight: 1140.72 g/mol
• Exact Mass: 1139.79
• IUPAC Name: (2R)-4-methylsulfonyl-2-phenyl-1-propan-2-ylpiperazine;(3R)-3-phenyl-4-propan-2-ylmorpholine;1-[(3R)-3-phenyl-4-propan-2-ylpiperazin-1-yl]ethanone;bis((2S)-2-phenyl-1-propan-2-ylpiperidine)
• SMILES: CC(=O)N1CCN(C(C)C)[C@H](c2ccccc2)C1.CC(C)N1CCCC[C@H]1c1ccccc1.CC(C)N1CCCC[C@H]1c1ccccc1.CC(C)N1CCN(S(C)(=O)=O)C[C@H]1c1ccccc1.CC(C)N1CCOC[C@H]1c1ccccc1
• InChI: InChI=1S/C15H22N2O.C14H22N2O2S.2C14H21N.C13H19NO/c1-12(2)17-10-9-16(13(3)18)11-15(17)14-7-5-4-6-8-14;1-12(2)16-10-9-15(19(3,17)18)11-14(16)13-7-5-4-6-8-13;2*1-12(2)15-11-7-6-10-14(15)13-8-4-3-5-9-13;1-11(2)14-8-9-15-10-13(14)12-6-4-3-5-7-12/h4-8,12,15H,9-11H2,1-3H3;4-8,12,14H,9-11H2,1-3H3;2*3-5,8-9,12,14H,6-7,10-11H2,1-2H3;3-7,11,13H,8-10H2,1-2H3/t15-;3*14-;13-/m00000/s1
• InChIKey: VSVXRFRELLFAIH-KONNOQDPSA-N
• XLogP: 13.73
• TPSA: 83.12 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1140.72
LogP ≤ 5	13.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methylsulfonyl-2-phenyl-1-propan-2-ylpiperazine;(3R)-3-phenyl-4-propan-2-ylmorpholine;1-[(3R)-3-phenyl-4-propan-2-ylpiperazin-1-yl]ethanone;bis((2S)-2-phenyl-1-propan-2-ylpiperidine)?

The IUPAC name of (2R)-4-methylsulfonyl-2-phenyl-1-propan-2-ylpiperazine;(3R)-3-phenyl-4-propan-2-ylmorpholine;1-[(3R)-3-phenyl-4-propan-2-ylpiperazin-1-yl]ethanone;bis((2S)-2-phenyl-1-propan-2-ylpiperidine) (CID 161389955) is (2R)-4-methylsulfonyl-2-phenyl-1-propan-2-ylpiperazine;(3R)-3-phenyl-4-propan-2-ylmorpholine;1-[(3R)-3-phenyl-4-propan-2-ylpiperazin-1-yl]ethanone;bis((2S)-2-phenyl-1-propan-2-ylpiperidine).

What is the SMILES notation for (2R)-4-methylsulfonyl-2-phenyl-1-propan-2-ylpiperazine;(3R)-3-phenyl-4-propan-2-ylmorpholine;1-[(3R)-3-phenyl-4-propan-2-ylpiperazin-1-yl]ethanone;bis((2S)-2-phenyl-1-propan-2-ylpiperidine)?

The canonical SMILES for (2R)-4-methylsulfonyl-2-phenyl-1-propan-2-ylpiperazine;(3R)-3-phenyl-4-propan-2-ylmorpholine;1-[(3R)-3-phenyl-4-propan-2-ylpiperazin-1-yl]ethanone;bis((2S)-2-phenyl-1-propan-2-ylpiperidine) is CC(=O)N1CCN(C(C)C)[C@H](c2ccccc2)C1.CC(C)N1CCCC[C@H]1c1ccccc1.CC(C)N1CCCC[C@H]1c1ccccc1.CC(C)N1CCN(S(C)(=O)=O)C[C@H]1c1ccccc1.CC(C)N1CCOC[C@H]1c1ccccc1.

What is the InChIKey of (2R)-4-methylsulfonyl-2-phenyl-1-propan-2-ylpiperazine;(3R)-3-phenyl-4-propan-2-ylmorpholine;1-[(3R)-3-phenyl-4-propan-2-ylpiperazin-1-yl]ethanone;bis((2S)-2-phenyl-1-propan-2-ylpiperidine)?

The InChIKey is VSVXRFRELLFAIH-KONNOQDPSA-N. The full InChI is InChI=1S/C15H22N2O.C14H22N2O2S.2C14H21N.C13H19NO/c1-12(2)17-10-9-16(13(3)18)11-15(17)14-7-5-4-6-8-14;1-12(2)16-10-9-15(19(3,17)18)11-14(16)13-7-5-4-6-8-13;2*1-12(2)15-11-7-6-10-14(15)13-8-4-3-5-9-13;1-11(2)14-8-9-15-10-13(14)12-6-4-3-5-7-12/h4-8,12,15H,9-11H2,1-3H3;4-8,12,14H,9-11H2,1-3H3;2*3-5,8-9,12,14H,6-7,10-11H2,1-2H3;3-7,11,13H,8-10H2,1-2H3/t15-;3*14-;13-/m00000/s1.

What are the key properties of (2R)-4-methylsulfonyl-2-phenyl-1-propan-2-ylpiperazine;(3R)-3-phenyl-4-propan-2-ylmorpholine;1-[(3R)-3-phenyl-4-propan-2-ylpiperazin-1-yl]ethanone;bis((2S)-2-phenyl-1-propan-2-ylpiperidine)?

(2R)-4-methylsulfonyl-2-phenyl-1-propan-2-ylpiperazine;(3R)-3-phenyl-4-propan-2-ylmorpholine;1-[(3R)-3-phenyl-4-propan-2-ylpiperazin-1-yl]ethanone;bis((2S)-2-phenyl-1-propan-2-ylpiperidine) has a molecular weight of 1140.72 g/mol, XLogP of 13.73, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-4-methylsulfonyl-2-phenyl-1-propan-2-ylpiperazine;(3R)-3-phenyl-4-propan-2-ylmorpholine;1-[(3R)-3-phenyl-4-propan-2-ylpiperazin-1-yl]ethanone;bis((2S)-2-phenyl-1-propan-2-ylpiperidine) is sourced from PubChem (CID 161389955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).