1-BENZYL-4-PHENYL-PIPERIDINE-4-CARBONITRILE, HYDROCHLORIDE

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Also known as: 71258-18-9, 1-benzyl-4-phenylpiperidine-4-carbonitrile hydrochloride, 1-benzyl-4-cyano-4-phenylpiperidine hcl, 1-n-benzyl-4-cyano-4-phenylpiperidine hydrochloride, 1-benzyl-4-phenylpiperidine-4-carbonitrile;hydrochloride, Nsc23832

Molecular Formula

C₁₉H₂₁ClN₂

Molecular Weight

312.8 g/mol

InChI Key

SPXFNRMZPRHYRH-UHFFFAOYSA-N

1 2D Structure

CAS 71258-18-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-benzyl-4-phenylpiperidine-4-carbonitrile;hydrochloride

2.1.2 InChI

InChI=1S/C19H20N2.ClH/c20-16-19(18-9-5-2-6-10-18)11-13-21(14-12-19)15-17-7-3-1-4-8-17;/h1-10H,11-15H2;1H

2.1.3 InChI Key

SPXFNRMZPRHYRH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)CC3=CC=CC=C3.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 71258-18-9

2. 1-benzyl-4-phenylpiperidine-4-carbonitrile Hydrochloride

3. 1-benzyl-4-cyano-4-phenylpiperidine Hcl

4. 1-n-benzyl-4-cyano-4-phenylpiperidine Hydrochloride

5. 1-benzyl-4-phenylpiperidine-4-carbonitrile;hydrochloride

6. Nsc23832

7. C19h21cln2

8. N-benzyl-4-cyano-4-phenylpiperidine Hydrochloride

9. Schembl2473959

10. Niosh/ns8800000

11. Amy2537

12. Spxfnrmzprhyrh-uhfffaoysa-n

13. Mfcd00035361

14. Nsc-23832

15. Akos015847373

16. Ac-2975

17. As-10909

18. Db-019300

19. B4393

20. Cs-0171347

21. Ns00062235

22. Ns88000000

23. F11589

24. 1-benzyl-4-cyano4-phenylpiperidine Hydrochloride

25. 1-benzyl-4-phenylisonipectonitrile, Hydrochloride

26. En300-12577777

27. Isopeconitrile, 1-benzyl-4-phenyl-, Hydrochloride

28. N-benzyl-4-cyano-4-phenyl Piperidine Hydrochloride

29. W-104528

30. 1-benzyl-4-phenylpiperidine-4-carbonitrilehydrochloride

31. 1-benzyl-4-phenyl-4-cyanopiperidine Hydrochloric Acid Salt

32. 1-benzyl-4-phenyl-4-piperidinecarbonitrile Hydrochloride (1:1)

33. 1-benzyl-4-phenyl-piperidine-4-carbonitrile, Hydrochloride

34. 4-phenyl-1-(phenylmethyl)-4-piperidinecarbonitrile Monohydrochloride

35. 4-phenyl-1-(phenylmethyl)-4-piperidinecarbonitrile Monohyrochloride

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₁ClN₂
Molecular Weight	312.8 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	27
Heavy Atom Count	22
Formal Charge	0
Complexity	360
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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