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Also known as: Dtxsid10858216, N-phenyl-n-(piperidin-4-yl)(3,3,3-~2~h_3_)propanamide--hydrogen chloride (1/1)
Molecular Formula
C14H21ClN2O
Molecular Weight
271.80  g/mol
InChI Key
KQGAIRYUMBGZQC-NIIDSAIPSA-N

CAS 22352-81-4
1 2D Structure

CAS 22352-81-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3,3,3-trideuterio-N-phenyl-N-piperidin-4-ylpropanamide;hydrochloride
2.1.2 InChI
InChI=1S/C14H20N2O.ClH/c1-2-14(17)16(12-6-4-3-5-7-12)13-8-10-15-11-9-13;/h3-7,13,15H,2,8-11H2,1H3;1H/i1D3;
2.1.3 InChI Key
KQGAIRYUMBGZQC-NIIDSAIPSA-N
2.1.4 Canonical SMILES
CCC(=O)N(C1CCNCC1)C2=CC=CC=C2.Cl
2.1.5 Isomeric SMILES
[2H]C([2H])([2H])CC(=O)N(C1CCNCC1)C2=CC=CC=C2.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Dtxsid10858216

2. N-phenyl-n-(piperidin-4-yl)(3,3,3-~2~h_3_)propanamide--hydrogen Chloride (1/1)

2.3 Create Date
2013-11-01
3 Chemical and Physical Properties
Molecular Weight 271.80 g/mol
Molecular Formula C14H21ClN2O
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass271.1530712 g/mol
Monoisotopic Mass271.1530712 g/mol
Topological Polar Surface Area32.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity243
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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