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Also known as: 1354486-07-9, 477600-68-3, (3s,4s)-1-benzyl-n,4-dimethylpiperidin-3-amine;dihydrochloride, Cis-n-benzyl-3-methylamino-4-methyl-piperidine dihydrochloride, Cis-1-benzyl-3-(methylamino)-4-methylpiperidine dihcl, Mfcd09864744
Molecular Formula
C14H24Cl2N2
Molecular Weight
291.3  g/mol
InChI Key
CVQNXCBXFOIHLH-CIKMBUIBSA-N

CAS 1354486-07-9
1 2D Structure

CAS 1354486-07-9

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 Weight 291.3 g/mol
Molecular Formula C14H24Cl2N2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass290.1316542 g/mol
Monoisotopic Mass290.1316542 g/mol
Topological Polar Surface Area15.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity199
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3

BUILDING BLOCK

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