Cas no 100332-12-5 (3-Piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, (3R,4R)-)
100332-12-5 structure
Product Name:3-Piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, (3R,4R)-
CAS No:100332-12-5
MF:C13H18FNO
MW:223.28652715683
CID:1125358
PubChem ID:13608108
Update Time:2025-04-20
3-Piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, (3R,4R)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, (3R,4R)-
- AKOS015904653
- SCHEMBL5593754
- ((3R,4R)-4-(4-Fluorophenyl)-1-methylpiperidin-3-yl)methanol
- CS-0165671
- ((3R,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl)methanol? (Paroxetine Impurity pound(c)
- rac cis-4-(4-Fluorophenyl)-1-methyl-3-piperidinemethanol
- 100332-12-5
-
- 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+/m1/s1
- InChI Key： CXRHUYYZISIIMT-YPMHNXCESA-N
- SMILES： FC1C=CC(=CC=1)[C@@H]1CCN(C)C[C@@H]1CO
Computed Properties
- Exact Mass: 223.13734
- Monoisotopic Mass: 223.137242360g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 216
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 23.5?2
Experimental Properties
- PSA: 23.47
3-Piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, (3R,4R)- Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
100332-12-5 (3-Piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, (3R,4R)-) Related Products
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