1-Methyl-2-piperidinecarboxaldehyde (>80%) - CAS 41467-01-0

Catalog:	BB060290
Product Name:	1-Methyl-2-piperidinecarboxaldehyde (>80%)
CAS:	41467-01-0
Synonyms:	1-METHYLPIPERIDINE-2-CARBALDEHYDE; 1-Methyl-piperidine-2-carbaldehyde

Technical Data

IUPAC Name:	1-methylpiperidine-2-carbaldehyde
Description:	1-Methyl-2-piperidinecarboxaldehyde (>80%) is derived from 1-Methyl-2-piperidinemethanol (M328110), which is used as a reagent to synthesize phenylpyridone derivatives, compounds that act as anti-obesity agents in mice.
Molecular Weight:	127.18
Molecular Formula:	C7H13NO
Canonical SMILES:	CN1CCCCC1C=O
InChI:	InChI=1S/C7H13NO/c1-8-5-3-2-4-7(8)6-9/h6-7H,2-5H2,1H3
InChI Key:	HBQKERHWQDYYEM-UHFFFAOYSA-N
Solubility:	Chloroform (Slightly), DMSO (Slightly)
Appearance:	Dark Red to Very Dark Red Oil
Storage:	-20°C, Hygroscopic
References:	Haga, Y., et al. Bioorg. Med. Chem., 19, 883 (2011).

Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.099714038
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	127.099714038
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.3Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7