About 1-[(1-methylcyclobutyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclohexyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclopentyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclopropyl)methyl]-4-propan-2-ylpiperidine
1-[(1-methylcyclobutyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclohexyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclopentyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclopropyl)methyl]-4-propan-2-ylpiperidine (PubChem CID 159501889) has the molecular formula C58H112N4
and a molecular weight of 865.56 g/mol. Its IUPAC name is 1-[(1-methylcyclobutyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclohexyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclopentyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclopropyl)methyl]-4-propan-2-ylpiperidine.
Molecular Properties
| Compound Name | 1-[(1-methylcyclobutyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclohexyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclopentyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclopropyl)methyl]-4-propan-2-ylpiperidine |
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| PubChem CID | 159501889 |
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| Molecular Formula | C58H112N4 |
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| Molecular Weight | 865.56 g/mol |
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| Exact Mass | 864.89 |
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| IUPAC Name | 1-[(1-methylcyclobutyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclohexyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclopentyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclopropyl)methyl]-4-propan-2-ylpiperidine |
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| SMILES | CC(C)C1CCN(CC2(C)CC2)CC1.CC(C)C1CCN(CC2(C)CCC2)CC1.CC(C)C1CCN(CC2(C)CCCC2)CC1.CC(C)C1CCN(CC2(C)CCCCC2)CC1 |
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| InChI | InChI=1S/C16H31N.C15H29N.C14H27N.C13H25N/c1-14(2)15-7-11-17(12-8-15)13-16(3)9-5-4-6-10-16;1-13(2)14-6-10-16(11-7-14)12-15(3)8-4-5-9-15;1-12(2)13-5-9-15(10-6-13)11-14(3)7-4-8-14;1-11(2)12-4-8-14(9-5-12)10-13(3)6-7-13/h14-15H,4-13H2,1-3H3;13-14H,4-12H2,1-3H3;12-13H,4-11H2,1-3H3;11-12H,4-10H2,1-3H3 |
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| InChIKey | LZMLRMWBHXEKAM-UHFFFAOYSA-N |
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| XLogP | 14.96 |
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| TPSA | 12.96 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 62 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 865.56 |
| LogP ≤ 5 | 14.96 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Analyze 1-[(1-methylcyclobutyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclohexyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclopentyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclopropyl)methyl]-4-propan-2-ylpiperidine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 1-[(1-methylcyclobutyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclohexyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclopentyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclopropyl)methyl]-4-propan-2-ylpiperidine?
The IUPAC name of 1-[(1-methylcyclobutyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclohexyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclopentyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclopropyl)methyl]-4-propan-2-ylpiperidine (CID 159501889) is 1-[(1-methylcyclobutyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclohexyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclopentyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclopropyl)methyl]-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-[(1-methylcyclobutyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclohexyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclopentyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclopropyl)methyl]-4-propan-2-ylpiperidine?
The canonical SMILES for 1-[(1-methylcyclobutyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclohexyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclopentyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclopropyl)methyl]-4-propan-2-ylpiperidine is CC(C)C1CCN(CC2(C)CC2)CC1.CC(C)C1CCN(CC2(C)CCC2)CC1.CC(C)C1CCN(CC2(C)CCCC2)CC1.CC(C)C1CCN(CC2(C)CCCCC2)CC1.
What is the InChIKey of 1-[(1-methylcyclobutyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclohexyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclopentyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclopropyl)methyl]-4-propan-2-ylpiperidine?
The InChIKey is LZMLRMWBHXEKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N.C15H29N.C14H27N.C13H25N/c1-14(2)15-7-11-17(12-8-15)13-16(3)9-5-4-6-10-16;1-13(2)14-6-10-16(11-7-14)12-15(3)8-4-5-9-15;1-12(2)13-5-9-15(10-6-13)11-14(3)7-4-8-14;1-11(2)12-4-8-14(9-5-12)10-13(3)6-7-13/h14-15H,4-13H2,1-3H3;13-14H,4-12H2,1-3H3;12-13H,4-11H2,1-3H3;11-12H,4-10H2,1-3H3.
What are the key properties of 1-[(1-methylcyclobutyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclohexyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclopentyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclopropyl)methyl]-4-propan-2-ylpiperidine?
1-[(1-methylcyclobutyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclohexyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclopentyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclopropyl)methyl]-4-propan-2-ylpiperidine has a molecular weight of 865.56 g/mol, XLogP of 14.96, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylcyclobutyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclohexyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclopentyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclopropyl)methyl]-4-propan-2-ylpiperidine is sourced from PubChem (CID 159501889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).