1-Glycidylpiperidine - CAS 4945-53-3

Catalog:	BB056169
Product Name:	1-Glycidylpiperidine
CAS:	4945-53-3
Synonyms:	1-(2,3-Epoxypropyl)-piperidine; 1-(Oxiranylmethyl)-piperidine; 1-(2-Oxiranylmethyl)piperidine; 1,2-Epoxy-3-(1-piperidinyl)propane; 1-(Oxiranylmethyl)piperidine; 1-Glycidylpiperidine; 1-[(Oxiran-2-yl)methyl]piperidine; 3-Piperidinopropylene Oxide; N-(2,3-Epoxypropyl)piperidine

Technical Data

IUPAC Name:	1-(oxiran-2-ylmethyl)piperidine
Description:	1-Glycidylpiperidine is an intermediate in the synthesis of BGP 15 (B411990). BGP 15 is a calcipotriene-based vitamin D3 analog that inhibits poly(ADP-ribose) polymerasesis (PARP), a class of enzymes that regulate DNA repair and apoptosis (1). BGP 15 is also a cardioprotective agent (2). Also, BPG 15 improves mitochondrial function, protects neurons from dying in vitro and in vivo, and promotes cardiac innervation in vivo.
Molecular Weight:	141.21
Molecular Formula:	C8H15NO
Canonical SMILES:	C1CCN(CC1)CC2CO2
InChI:	InChI=1S/C8H15NO/c1-2-4-9(5-3-1)6-8-7-10-8/h8H,1-7H2
InChI Key:	JWYRPOYJRRHHIL-UHFFFAOYSA-N
Solubility:	Chloroform-d; Dichloromethane; DMSO; Methanol
Appearance:	Colourless oil
References:	Sarszegi, Z., et al. Mol. Cell. Biol., 365, 129-137 (2012); Ohlen, S. B., et al. Proc. Natl. Acad. Sci. U.S.A., 114, 5035-5040 (2017).

Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	141.115364102
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	141.115364102
Rotatable Bond Count:	2
Topological Polar Surface Area:	15.8Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8