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

Technical Data

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:	32.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9