About 4-(4-bromophenyl)-4-(4-chlorophenyl)-1-methylpiperidine;4-(4-bromophenyl)-4-(4-chlorophenyl)piperidine;hydrochloride
4-(4-bromophenyl)-4-(4-chlorophenyl)-1-methylpiperidine;4-(4-bromophenyl)-4-(4-chlorophenyl)piperidine;hydrochloride (PubChem CID 157460819) has the molecular formula C35H37Br2Cl3N2
and a molecular weight of 751.86 g/mol. Its IUPAC name is 4-(4-bromophenyl)-4-(4-chlorophenyl)-1-methylpiperidine;4-(4-bromophenyl)-4-(4-chlorophenyl)piperidine;hydrochloride.
Molecular Properties
| Compound Name | 4-(4-bromophenyl)-4-(4-chlorophenyl)-1-methylpiperidine;4-(4-bromophenyl)-4-(4-chlorophenyl)piperidine;hydrochloride |
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| PubChem CID | 157460819 |
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| Molecular Formula | C35H37Br2Cl3N2 |
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| Molecular Weight | 751.86 g/mol |
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| Exact Mass | 748.04 |
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| IUPAC Name | 4-(4-bromophenyl)-4-(4-chlorophenyl)-1-methylpiperidine;4-(4-bromophenyl)-4-(4-chlorophenyl)piperidine;hydrochloride |
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| SMILES | CN1CCC(c2ccc(Cl)cc2)(c2ccc(Br)cc2)CC1.Cl.Clc1ccc(C2(c3ccc(Br)cc3)CCNCC2)cc1 |
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| InChI | InChI=1S/C18H19BrClN.C17H17BrClN.ClH/c1-21-12-10-18(11-13-21,14-2-6-16(19)7-3-14)15-4-8-17(20)9-5-15;18-15-5-1-13(2-6-15)17(9-11-20-12-10-17)14-3-7-16(19)8-4-14;/h2-9H,10-13H2,1H3;1-8,20H,9-12H2;1H |
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| InChIKey | VRQXKNYAAUBWSO-UHFFFAOYSA-N |
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| XLogP | 10.31 |
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| TPSA | 15.27 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 751.86 |
| LogP ≤ 5 | 10.31 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 4-(4-bromophenyl)-4-(4-chlorophenyl)-1-methylpiperidine;4-(4-bromophenyl)-4-(4-chlorophenyl)piperidine;hydrochloride?
The IUPAC name of 4-(4-bromophenyl)-4-(4-chlorophenyl)-1-methylpiperidine;4-(4-bromophenyl)-4-(4-chlorophenyl)piperidine;hydrochloride (CID 157460819) is 4-(4-bromophenyl)-4-(4-chlorophenyl)-1-methylpiperidine;4-(4-bromophenyl)-4-(4-chlorophenyl)piperidine;hydrochloride.
What is the SMILES notation for 4-(4-bromophenyl)-4-(4-chlorophenyl)-1-methylpiperidine;4-(4-bromophenyl)-4-(4-chlorophenyl)piperidine;hydrochloride?
The canonical SMILES for 4-(4-bromophenyl)-4-(4-chlorophenyl)-1-methylpiperidine;4-(4-bromophenyl)-4-(4-chlorophenyl)piperidine;hydrochloride is CN1CCC(c2ccc(Cl)cc2)(c2ccc(Br)cc2)CC1.Cl.Clc1ccc(C2(c3ccc(Br)cc3)CCNCC2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-4-(4-chlorophenyl)-1-methylpiperidine;4-(4-bromophenyl)-4-(4-chlorophenyl)piperidine;hydrochloride?
The InChIKey is VRQXKNYAAUBWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClN.C17H17BrClN.ClH/c1-21-12-10-18(11-13-21,14-2-6-16(19)7-3-14)15-4-8-17(20)9-5-15;18-15-5-1-13(2-6-15)17(9-11-20-12-10-17)14-3-7-16(19)8-4-14;/h2-9H,10-13H2,1H3;1-8,20H,9-12H2;1H.
What are the key properties of 4-(4-bromophenyl)-4-(4-chlorophenyl)-1-methylpiperidine;4-(4-bromophenyl)-4-(4-chlorophenyl)piperidine;hydrochloride?
4-(4-bromophenyl)-4-(4-chlorophenyl)-1-methylpiperidine;4-(4-bromophenyl)-4-(4-chlorophenyl)piperidine;hydrochloride has a molecular weight of 751.86 g/mol, XLogP of 10.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-4-(4-chlorophenyl)-1-methylpiperidine;4-(4-bromophenyl)-4-(4-chlorophenyl)piperidine;hydrochloride is sourced from PubChem (CID 157460819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).