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 Formula	C₁₄H₂₁ClN₂O
Molecular Weight	268.78 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	268.1342410 g/mol
Monoisotopic Mass	268.1342410 g/mol
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	257
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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