2-(1-Piperazinyl)-phenol Dihydrochloride - CAS 667864-86-0

Catalog:	BB058087
Product Name:	2-(1-Piperazinyl)-phenol Dihydrochloride
CAS:	667864-86-0
Synonyms:	o-1-Piperazinyl-phenol; 1-(2-Hydroxyphenyl)piperazine Dihydrochloride; 1-(o-Hydroxyphenyl)piperazine; 2-(1-Piperazinyl)phenol Dihydrochloride; N-(2-Hydroxyphenyl)piperazine Dihydrochloride

Technical Data

IUPAC Name:	2-piperazin-1-ylphenoldihydrochloride
Description:	2-(1-Piperazinyl)-phenol Dihydrochloride, is used to prepare nonpeptidic biaryl inhibitors of human cathepsin K in relation to treatment of osteoporosis. It is also used to synthesize serotonin transporters/histamine H3 receptors.
Molecular Weight:	178.23 +(36.46)2
Molecular Formula:	C10H14N2O·2HCl
Canonical SMILES:	C1CN(CCN1)C2=CC=CC=C2O.Cl.Cl
InChI:	InChI=1S/C10H14N2O.2ClH/c13-10-4-2-1-3-9(10)12-7-5-11-6-8-12/h1-4,11,13H,5-8H22*1H
InChI Key:	HDYADRZXMKJWNR-UHFFFAOYSA-N
Solubility:	DMSO (Slightly), Methanol (Slightly)
Appearance:	Dark Grey Solid
Storage:	-20°C Freezer, Under inert atmosphere
References:	Robichaud, J., et al. J. Med. Chem., 46, 3709 (2003); Keith, J., et al. Bioorg. Med. Chem. Lett., 17, 702 (2007).

Complexity:	157
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	250.0639685
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	250.0639685
Rotatable Bond Count:	1
Topological Polar Surface Area:	35.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0