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Technical details about CAS 184177-81-9, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 184177-81-9, Phenyl n-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]carbamate, Phenyl {4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl}carbamate, Smr000073777, Mls000062853, Phenyl {4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl}carbamate
Molecular Formula
C23H23N3O3
Molecular Weight
389.4  g/mol
InChI Key
IKRKMYDCUZYKHX-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
phenyl N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]carbamate
2.1.2 InChI
InChI=1S/C23H23N3O3/c27-21-12-10-20(11-13-21)26-16-14-25(15-17-26)19-8-6-18(7-9-19)24-23(28)29-22-4-2-1-3-5-22/h1-13,27H,14-17H2,(H,24,28)
2.1.3 InChI Key
IKRKMYDCUZYKHX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CN(CCN1C2=CC=C(C=C2)NC(=O)OC3=CC=CC=C3)C4=CC=C(C=C4)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 184177-81-9

2. Phenyl N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]carbamate

3. Phenyl {4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl}carbamate

4. Smr000073777

5. Mls000062853

6. Phenyl {4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl}carbamate

7. N-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]carbamic Acid Phenyl Ester

8. Phenyl 4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenylcarbamate

9. Posaconazole Impurity 32

10. Mls002541909

11. Schembl3898025

12. Chembl1326856

13. Bdbm62766

14. Cid_1317528

15. Dtxsid10361710

16. Chebi:123196

17. Hms2495j06

18. Amy14801

19. Zinc1145861

20. Mfcd03784249

21. Stk147738

22. [4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]carbamic Acid Phenyl Ester

23. Akos000427516

24. Ac-28752

25. Ds-18226

26. Cs-0010883

27. A880789

28. Q27212868

29. Phenyl(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)carbamate

30. N-[4-[4-(4-hydroxyphenyl)piperazino]phenyl]carbamic Acid Phenyl Ester

31. Carbamic Acid,[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-,phenyl Ester (9ci)

2.3 Create Date
2005-07-10
3 Chemical and Physical Properties
Molecular Weight 389.4 g/mol
Molecular Formula C23H23N3O3
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass389.17394160 g/mol
Monoisotopic Mass389.17394160 g/mol
Topological Polar Surface Area65 Ų
Heavy Atom Count29
Formal Charge0
Complexity502
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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