1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(4-propan-2-ylpiperazin-1-yl)phenol

2.1.2 InChI

InChI=1S/C13H20N2O/c1-11(2)14-7-9-15(10-8-14)12-3-5-13(16)6-4-12/h3-6,11,16H,7-10H2,1-2H3

2.1.3 InChI Key

BMBPGRMBBHKAEP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)N1CCN(CC1)C2=CC=C(C=C2)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 67914-97-0

2. 4-(4-isopropylpiperazin-1-yl)phenol

3. 4-(4-isopropyl-piperazin-1-yl)-phenol

4. 4-(4-propan-2-ylpiperazin-1-yl)phenol

5. 4-(4-isopropyl-1-piperazinyl)phenol

6. 4-[4-(propan-2-yl)piperazin-1-yl]phenol

7. Einecs 267-750-0

8. P-(4-isopropyl-1-piperazinyl)phenol

9. Terconazole Impurity 6

10. Oprea1_105016

11. An-907/14236005

12. Mls000698522

13. Schembl3146325

14. Chembl1392389

15. Zinc58265

16. Dtxsid70867400

17. Chebi:116817

18. Hms2549j12

19. Mfcd02071478

20. Akos015968317

21. 4-[4-(1-methylethyl)piperazino]phenol

22. 4-(4-propan-2-yl-1-piperazinyl)phenol

23. Ncgc00247233-01

24. As-37937

25. Smr000231667

26. Db-019230

27. Cs-0171963

28. Ft-0641153

29. A835936

30. Q27203037

31. Z104658148

32. 4-(4-isopropylpiperazin-1-yl)phenol;4-(4-isopropyl-piperazin-1-yl)-phenol

2.3 Create Date

2005-07-07

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₂₀N₂O
Molecular Weight	220.31 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	220.157563266 g/mol
Monoisotopic Mass	220.157563266 g/mol
Topological Polar Surface Area	26.7 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	204
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

CAS 67914-97-0

CAS 67914-97-0

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