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Also known as: 65797-42-4, N-(2',6'-dinethylphenyl)-2-piperidinecarboxamide hcl, N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride, Dtxsid201335103, 2-piperidinecarboxamide, n-(2,6-dimethylphenyl)-, monohydrochloride, Mfcd09037377
Molecular Formula
C14H21ClN2O
Molecular Weight
268.78  g/mol
InChI Key
XUCXNUJDRBMBRF-UHFFFAOYSA-N

CAS 65797-42-4
1 2D Structure

CAS 65797-42-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride
2.1.2 InChI
InChI=1S/C14H20N2O.ClH/c1-10-6-5-7-11(2)13(10)16-14(17)12-8-3-4-9-15-12;/h5-7,12,15H,3-4,8-9H2,1-2H3,(H,16,17);1H
2.1.3 InChI Key
XUCXNUJDRBMBRF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 65797-42-4

2. N-(2',6'-dinethylphenyl)-2-piperidinecarboxamide Hcl

3. N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride

4. Dtxsid201335103

5. 2-piperidinecarboxamide, N-(2,6-dimethylphenyl)-, Monohydrochloride

6. Mfcd09037377

7. H83d202

8. Cs-0062468

9. Ec 417-950-0

10. N-(2',6'-dimethylphenyl)-2-piperidinecarboxamide Hcl

11. N-(2,6-dimethylphenyl)piperidine-2-carboxamidehydrochloride

12. N-(2,6-dimethylphenyl)-2-piperidinecarboxamide Hydrochloride (1:1)

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 268.78 g/mol
Molecular Formula C14H21ClN2O
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass268.1342410 g/mol
Monoisotopic Mass268.1342410 g/mol
Topological Polar Surface Area41.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity257
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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