CAS 184177-81-9

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1 Intermediates

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Chemistry

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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

CAS 184177-81-9

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 Formula	C₂₃H₂₃N₃O₃
Molecular Weight	389.4 g/mol
XLogP3	4.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	389.17394160 g/mol
Monoisotopic Mass	389.17394160 g/mol
Topological Polar Surface Area	65 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	502
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	1