Cycrimine Hydrochloride

Synopsis, Chemistry

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2 Dossiers, 2 FDA Orange Book

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Also known as: 126-02-3, Pagitane, Cycrimine hcl, Compound 8958, Pagitane hydrochloride, Cycrimine (hydrochloride)

Molecular Formula

C₁₉H₃₀ClNO

Molecular Weight

323.9 g/mol

InChI Key

WBCWFMFZMRFRLT-UHFFFAOYSA-N

FDA UNII

9RB4L4K895

1 2D Structure

Cycrimine Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-cyclopentyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride

2.1.2 InChI

InChI=1S/C19H29NO.ClH/c21-19(18-11-5-6-12-18,17-9-3-1-4-10-17)13-16-20-14-7-2-8-15-20;/h1,3-4,9-10,18,21H,2,5-8,11-16H2;1H

2.1.3 InChI Key

WBCWFMFZMRFRLT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CCN(CC1)CCC(C2CCCC2)(C3=CC=CC=C3)O.Cl

2.2 Other Identifiers

2.2.1 UNII

9RB4L4K895

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 126-02-3

2. Pagitane

3. Cycrimine Hcl

4. Compound 8958

5. Pagitane Hydrochloride

6. Cycrimine (hydrochloride)

7. Nsc-169452

8. 1-phenyl-1-cyclopentyl-3-piperidino-1-propanol Hydrochloride

9. Chebi:59693

10. Alpha-cyclopentyl-alpha-phenyl-1-piperidinepropanol Hydrochloride

11. 9rb4l4k895

12. 1-cyclopentyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride

13. Compound 8958;nsc 169452; Pagitane Hydrochloride

14. .alpha.-cyclopentyl-.alpha.-phenyl-1-piperidinepropanol Hydrochloride

15. Cycriminehydrochloride

16. Einecs 204-764-8

17. Lilly 08958

18. Nsc 169452

19. Cycrimine Hydrochloride [usp]

20. Unii-9rb4l4k895

21. (+-)-cycrimine Hcl

22. (+-)-cycrimine Hydrochloride

23. Schembl1235292

24. Chembl1200828

25. Cycrimine Hydrochloride [mi]

26. 1-piperidinepropanol, Alpha-cyclopentyl-alpha-phenyl-, Hydrochloride

27. Nsc169452

28. 1-piperidinepropanol, .alpha.-cyclopentyl-.alpha.-phenyl-, Hydrochloride

29. Cycrimine Hydrochloride [who-dd]

30. Wln: T6ntj A2xqr &- Al5tj & Gh

31. Cycrimine Hydrochloride [orange Book]

32. Q27126854

33. 1-cyclopentyl-1-phenyl-3-(piperidin-1-yl)propan-1-ol Hydrochloride

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₃₀ClNO
Molecular Weight	323.9 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	323.2015923 g/mol
Monoisotopic Mass	323.2015923 g/mol
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	301
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