CAS 73279-04-6

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Chemistry

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Also known as: 73279-04-6, 3-(piperidin-1-ylmethyl)phenol, 1-(3-hydroxybenzyl)piperidine, 3-(1-piperidinomethyl)phenol, 3-(1-piperidylmethyl)phenol, 3-(piperidinomethyl)phenol

Molecular Formula

C₁₂H₁₇NO

Molecular Weight

191.27 g/mol

InChI Key

ORGBERFQYFWYGX-UHFFFAOYSA-N

1 2D Structure

CAS 73279-04-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(piperidin-1-ylmethyl)phenol

2.1.2 InChI

InChI=1S/C12H17NO/c14-12-6-4-5-11(9-12)10-13-7-2-1-3-8-13/h4-6,9,14H,1-3,7-8,10H2

2.1.3 InChI Key

ORGBERFQYFWYGX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CCN(CC1)CC2=CC(=CC=C2)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 73279-04-6

2. 3-(piperidin-1-ylmethyl)phenol

3. 1-(3-hydroxybenzyl)piperidine

4. 3-(1-piperidinomethyl)phenol

5. 3-(1-piperidylmethyl)phenol

6. 3-(piperidinomethyl)phenol

7. Mfcd00800250

8. Phenol, 3-(1-piperidinylmethyl)-

9. 3-piperidinomethylphenol

10. 3-piperidinomethyl Phenol

11. N-3-hydroxybenzylpiperidine

12. Oprea1_133944

13. Ae-641/11702937

14. N-(3-hydroxybenzyl)piperidine

15. 3-(1-piperidino Methyl)phenol

16. 3-(1-piperidinomethyl)phenol.

17. Schembl3154468

18. 3-(1-piperidinylmethyl)-phenol

19. Chembl1626137

20. Amy5273

21. Dtxsid70356602

22. Zinc347230

23. Akos006343444

24. Cs-w010722

25. Ds-7468

26. Sb41200

27. Ac-19427

28. Sy052758

29. Db-021568

30. Ft-0651261

31. H1183

32. F31136

33. 279p046

34. A837774

35. W-203670

2.3 Create Date

2005-07-09

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₇NO
Molecular Weight	191.27 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	191.131014166 g/mol
Monoisotopic Mass	191.131014166 g/mol
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	166
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