1-(1-Methyl-1-phenylethyl)piperidine - CAS 92321-29-4
Catalog: |
BB040482 |
Product Name: |
1-(1-Methyl-1-phenylethyl)piperidine |
CAS: |
92321-29-4 |
Synonyms: |
1-(2-phenylpropan-2-yl)piperidine; 1-(2-phenylpropan-2-yl)piperidine |
Application: |
Enzyme inhibitor. A selective inactivator of CYP2B6. |
IUPAC Name: | 1-(2-phenylpropan-2-yl)piperidine |
Description: | 2-Phenyl-2-(1-piperidinyl)propane is an analog of phencyclidine that acts as a mechanism-based inactivator of human cytochrome P450 (CYP) 2B6 (Ki = 5.6 µM; IC50 = 5.1 µM). A selective inactivator of CYP2B6. |
Molecular Weight: | 203.32 |
Molecular Formula: | C14H21N |
Canonical SMILES: | CC(C)(C1=CC=CC=C1)N2CCCCC2 |
InChI: | InChI=1S/C14H21N/c1-14(2,13-9-5-3-6-10-13)15-11-7-4-8-12-15/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3 |
InChI Key: | HORGQLWAZQOQNU-UHFFFAOYSA-N |
Boiling Point: | 271.1 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 0.969 g/cm3 |
LogP: | 3.97700 |
Publication Number | Title | Priority Date |
CA-3082423-A1 | Systems, devices, formulations and methods for controlled drug delivery | 20171114 |
WO-2019099568-A1 | Systems, devices, formulations and methods for controlled drug delivery | 20171114 |
EP-3710079-A1 | Systems, devices, formulations and methods for controlled drug delivery | 20171114 |
US-2020384188-A1 | Systems, devices, formulations and methods for controlled drug delivery | 20171114 |
KR-20190007050-A | Benzenesulfonamide compounds and their use as therapeutic agents | 20160520 |
PMID | Publication Date | Title | Journal |
21336516 | 20110301 | Chemical inhibitors of cytochrome P450 isoforms in human liver microsomes: a re-evaluation of P450 isoform selectivity | European journal of drug metabolism and pharmacokinetics |
17682072 | 20071101 | A comparison of 2-phenyl-2-(1-piperidinyl)propane (ppp), 1,1',1''-phosphinothioylidynetrisaziridine (thioTEPA), clopidogrel, and ticlopidine as selective inactivators of human cytochrome P450 2B6 | Drug metabolism and disposition: the biological fate of chemicals |
16248836 | 20051001 | Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity | Current drug metabolism |
15155557 | 20040601 | Validated assays for human cytochrome P450 activities | Drug metabolism and disposition: the biological fate of chemicals |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.167399674 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.167399674 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 3.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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