CAS 100332-12-5 | 3-Piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, (3R,4R)- | CAS Number 100332-12-5

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Fluorides > 100332-12-5

100332-12-5 | 3-Piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, (3R,4R)-

CAS No: 100332-12-5 Catalog No: AG0001N5 MDL No:

Product Description

Catalog Number:

AG0001N5

Chemical Name:

3-Piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, (3R,4R)-

CAS Number:

100332-12-5

Molecular Formula:

C13H18FNO

Molecular Weight:

223.2865

IUPAC Name:

[4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol

InChI:

InChI=1S/C13H18FNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3

InChI Key:

CXRHUYYZISIIMT-UHFFFAOYSA-N

SMILES:

OC[C@H]1CN(C)CC[C@H]1c1ccc(cc1)F

EC Number:

415-550-0

Properties

Complexity:

216

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

223.137g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

223.291g/mol

Monoisotopic Mass:

223.137g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

23.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Development of new radiopharmaceuticals for imaging monoamine oxidase B.	Nuclear medicine and biology 20111001
Enantiomeric enrichment of (+)-(3R,4S)-4-(4-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine by crystallization.	Enantiomer 20010101