4-[2-(1-Piperidinyl)ethoxy]-benzenemethanol - CAS 223251-13-6
Catalog: |
BB076565 |
Product Name: |
4-[2-(1-Piperidinyl)ethoxy]-benzenemethanol |
CAS: |
223251-13-6 |
Synonyms: |
[4-(2-piperidin-1-ylethoxy)phenyl]methanol; (4-(2-(Piperidin-1-yl)ethoxy)phenyl)methanol; 4-(2-piperidinylethoxy)benzyl alcohol; 4-(2-PIPERIDINYLETHOXY) BENZYL ALCOHOL; 4-(2-piperidinyl-ethoxy)benzyl alcohol |
IUPAC Name: | [4-(2-piperidin-1-ylethoxy)phenyl]methanol |
Description: | 4-[2-(1-Piperidinyl)ethoxy]-benzenemethanol is an intermediate in the synthesis of Pipendoxifene (P479850), a 2-Ph indole selective estrogen receptor modulator (SERM) that exhibits an excellent preclin. pharmacol. profile and was selected for further development as a treatment for metastatic breast cancer. |
Molecular Weight: | 235.32 |
Molecular Formula: | C14H21NO2 |
Canonical SMILES: | C1CCN(CC1)CCOC2=CC=C(C=C2)CO |
InChI: | InChI=1S/C14H21NO2/c16-12-13-4-6-14(7-5-13)17-11-10-15-8-2-1-3-9-15/h4-7,16H,1-3,8-12H2 |
InChI Key: | QBXGBNZCIAVBCA-UHFFFAOYSA-N |
Solubility: | Dichloromethane; Methanol; DMSO |
Appearance: | Dirty Yellow Hard Solid |
Storage: | Refrigerator |
References: | Cotreau, M., et al. J. Clin. Pharm., 42, 157 (2002); Greenberger, L., et al. Clin. Cancer Res., 7, 3166 (2001). |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.157228913 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.157228913 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 32.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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