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2D Structure
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

2D Structure

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 Weight 323.9 g/mol
Molecular Formula C19H30ClNO
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass323.2015923 g/mol
Monoisotopic Mass323.2015923 g/mol
Topological Polar Surface Area23.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity301
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2