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Home Other Building Blocks (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

(3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

CAS No.:
105812-81-5
Catalog Number:
AG003BTI
Molecular Formula:
C13H18FNO
Molecular Weight:
223.2865
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$19
- +
25g
98%
In Stock USA
United States
$75
- +
100g
98%
In Stock USA
United States
$200
- +
Product Description
Catalog Number:
AG003BTI
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
IUPAC Name:
[(3S,4R)-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/t11-,13-/m0/s1
InChI Key:
CXRHUYYZISIIMT-AAEUAGOBSA-N
SMILES:
OC[C@@H]1CN(C)CC[C@H]1c1ccc(cc1)F
UNII:
IDR7471BR7
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
223.137g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.291g/mol
Monoisotopic Mass:
223.137g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Synthesis of the major metabolites of paroxetine. Bioorganic chemistry 20030601
Vibrational circular dichroism spectroscopy study of paroxetine and femoxetine precursors. Biopolymers 20020101
Properties