105812-81-5 | (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$15.00	$10.00
5g	95%	in stock	$23.00	$16.00
10g	95%	in stock	$38.00	$26.00
25g	95%	in stock	$44.00	$31.00

Description

• Catalog Number: AB55086
• Chemical Name: (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
• CAS Number: 105812-81-5
• Molecular Formula: C13H18FNO
• Molecular Weight: 223.2865
• MDL Number: MFCD06658161
• SMILES: OC[C@@H]1CN(C)CC[C@H]1c1ccc(cc1)F

Computed Properties

• Complexity: 216
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 2
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 1.8

Upstream Synthesis Route

The compound (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine plays a vital role in chemical synthesis as a versatile building block. With its unique stereochemistry and functional groups, this compound serves as a key intermediate in the creation of various pharmaceuticals, agrochemicals, and specialty chemicals. Its hydroxymethyl group offers opportunities for further derivatization, allowing chemists to tailor the molecule for specific applications. In addition, the fluorophenyl moiety can provide significant benefits in terms of pharmacokinetics and target binding properties. By incorporating (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine into synthetic routes, researchers can access a diverse range of compounds with potential biological activities and therapeutic effects.

Literature

• Synthesis of the major metabolites of paroxetine.

  Bioorganic chemistry 20030601

• Vibrational circular dichroism spectroscopy study of paroxetine and femoxetine precursors.

  Biopolymers 20020101