About (2R)-2-deuterio-2-methylpyrrolidine;2,2-dimethylpyrrolidine;(2R)-2-methylpiperidine;(3S)-3-methylpiperidine;(2R)-2-methylpyrrolidine;(3R)-3-methylpyrrolidine
(2R)-2-deuterio-2-methylpyrrolidine;2,2-dimethylpyrrolidine;(2R)-2-methylpiperidine;(3S)-3-methylpiperidine;(2R)-2-methylpyrrolidine;(3R)-3-methylpyrrolidine (PubChem CID 164962162) has the molecular formula C33H72N6
and a molecular weight of 553.99 g/mol. Its IUPAC name is (2R)-2-deuterio-2-methylpyrrolidine;2,2-dimethylpyrrolidine;(2R)-2-methylpiperidine;(3S)-3-methylpiperidine;(2R)-2-methylpyrrolidine;(3R)-3-methylpyrrolidine.
Molecular Properties
| Compound Name | (2R)-2-deuterio-2-methylpyrrolidine;2,2-dimethylpyrrolidine;(2R)-2-methylpiperidine;(3S)-3-methylpiperidine;(2R)-2-methylpyrrolidine;(3R)-3-methylpyrrolidine |
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| PubChem CID | 164962162 |
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| Molecular Formula | C33H72N6 |
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| Molecular Weight | 553.99 g/mol |
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| Exact Mass | 553.59 |
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| IUPAC Name | (2R)-2-deuterio-2-methylpyrrolidine;2,2-dimethylpyrrolidine;(2R)-2-methylpiperidine;(3S)-3-methylpiperidine;(2R)-2-methylpyrrolidine;(3R)-3-methylpyrrolidine |
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| SMILES | CC1(C)CCCN1.C[C@@H]1CCCCN1.C[C@@H]1CCCN1.C[C@@H]1CCNC1.C[C@H]1CCCNC1.[2H][C@@]1(C)CCCN1 |
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| InChI | InChI=1S/3C6H13N.3C5H11N/c1-6(2)4-3-5-7-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-3-6-4-5;2*1-5-3-2-4-6-5/h7H,3-5H2,1-2H3;2*6-7H,2-5H2,1H3;3*5-6H,2-4H2,1H3/t;2*6-;3*5-/m.01111/s1/i;;;;5D; |
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| InChIKey | BZIYSPNFSLEYIM-KDJLBFGUSA-N |
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| XLogP | 5.44 |
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| TPSA | 72.18 Ų |
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| H-Bond Donors | 6 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 553.99 |
| LogP ≤ 5 | 5.44 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze (2R)-2-deuterio-2-methylpyrrolidine;2,2-dimethylpyrrolidine;(2R)-2-methylpiperidine;(3S)-3-methylpiperidine;(2R)-2-methylpyrrolidine;(3R)-3-methylpyrrolidine with MolForge
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Frequently Asked Questions
What is the IUPAC name of (2R)-2-deuterio-2-methylpyrrolidine;2,2-dimethylpyrrolidine;(2R)-2-methylpiperidine;(3S)-3-methylpiperidine;(2R)-2-methylpyrrolidine;(3R)-3-methylpyrrolidine?
The IUPAC name of (2R)-2-deuterio-2-methylpyrrolidine;2,2-dimethylpyrrolidine;(2R)-2-methylpiperidine;(3S)-3-methylpiperidine;(2R)-2-methylpyrrolidine;(3R)-3-methylpyrrolidine (CID 164962162) is (2R)-2-deuterio-2-methylpyrrolidine;2,2-dimethylpyrrolidine;(2R)-2-methylpiperidine;(3S)-3-methylpiperidine;(2R)-2-methylpyrrolidine;(3R)-3-methylpyrrolidine.
What is the SMILES notation for (2R)-2-deuterio-2-methylpyrrolidine;2,2-dimethylpyrrolidine;(2R)-2-methylpiperidine;(3S)-3-methylpiperidine;(2R)-2-methylpyrrolidine;(3R)-3-methylpyrrolidine?
The canonical SMILES for (2R)-2-deuterio-2-methylpyrrolidine;2,2-dimethylpyrrolidine;(2R)-2-methylpiperidine;(3S)-3-methylpiperidine;(2R)-2-methylpyrrolidine;(3R)-3-methylpyrrolidine is CC1(C)CCCN1.C[C@@H]1CCCCN1.C[C@@H]1CCCN1.C[C@@H]1CCNC1.C[C@H]1CCCNC1.[2H][C@@]1(C)CCCN1.
What is the InChIKey of (2R)-2-deuterio-2-methylpyrrolidine;2,2-dimethylpyrrolidine;(2R)-2-methylpiperidine;(3S)-3-methylpiperidine;(2R)-2-methylpyrrolidine;(3R)-3-methylpyrrolidine?
The InChIKey is BZIYSPNFSLEYIM-KDJLBFGUSA-N. The full InChI is InChI=1S/3C6H13N.3C5H11N/c1-6(2)4-3-5-7-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-3-6-4-5;2*1-5-3-2-4-6-5/h7H,3-5H2,1-2H3;2*6-7H,2-5H2,1H3;3*5-6H,2-4H2,1H3/t;2*6-;3*5-/m.01111/s1/i;;;;5D;.
What are the key properties of (2R)-2-deuterio-2-methylpyrrolidine;2,2-dimethylpyrrolidine;(2R)-2-methylpiperidine;(3S)-3-methylpiperidine;(2R)-2-methylpyrrolidine;(3R)-3-methylpyrrolidine?
(2R)-2-deuterio-2-methylpyrrolidine;2,2-dimethylpyrrolidine;(2R)-2-methylpiperidine;(3S)-3-methylpiperidine;(2R)-2-methylpyrrolidine;(3R)-3-methylpyrrolidine has a molecular weight of 553.99 g/mol, XLogP of 5.44, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-deuterio-2-methylpyrrolidine;2,2-dimethylpyrrolidine;(2R)-2-methylpiperidine;(3S)-3-methylpiperidine;(2R)-2-methylpyrrolidine;(3R)-3-methylpyrrolidine is sourced from PubChem (CID 164962162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).