CAS 1354486-07-9

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3S,4S)-1-benzyl-N,4-dimethylpiperidin-3-amine;dihydrochloride

2.1.2 InChI

InChI=1S/C14H22N2.2ClH/c1-12-8-9-16(11-14(12)15-2)10-13-6-4-3-5-7-13;;/h3-7,12,14-15H,8-11H2,1-2H3;2*1H/t12-,14+;;/m0../s1

2.1.3 InChI Key

CVQNXCBXFOIHLH-CIKMBUIBSA-N

2.1.4 Canonical SMILES

CC1CCN(CC1NC)CC2=CC=CC=C2.Cl.Cl

2.1.5 Isomeric SMILES

C[C@H]1CCN(C[C@H]1NC)CC2=CC=CC=C2.Cl.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1354486-07-9

2. 477600-68-3

3. (3s,4s)-1-benzyl-n,4-dimethylpiperidin-3-amine;dihydrochloride

4. Cis-n-benzyl-3-methylamino-4-methyl-piperidine Dihydrochloride

5. Cis-1-benzyl-3-(methylamino)-4-methylpiperidine Dihcl

6. Mfcd09864744

7. Schembl2148084

8. Dtxsid50716624

9. Amy36803

10. Cs-m1988

11. Mfcd11841111

12. Akos015844889

13. Akos015894598

14. Af-0011

15. P11197

16. (3s,4s)-1-benzyl-n,4-dimethylpiperidin-3-amine 2hcl

17. (3s,4s)-1-benzyl-n,4-dimethylpiperidin-3-amine Dihcl

18. (3s,4s)-1-benzyl-n,4-dimethylpiperidin-3-aminedihydrochloride

19. (3s,4s)-1-benzyl-n,4-dimethylpiperidin-3-amine--hydrogen Chloride (1/2)

20. 3-piperidinamine, N,4-dimethyl-1-(phenylmethyl)-, Dihydrochloride,(3r,4r)-rel-

21. Racemic Cis-(1-benzyl-4-methyl-piperidine-3-yl)-methylamine Bis Hydrochloride

2.3 Create Date

2012-01-11

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₂₄Cl₂N₂
Molecular Weight	291.3 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	290.1316542 g/mol
Monoisotopic Mass	290.1316542 g/mol
Topological Polar Surface Area	15.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	199
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

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