1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1-propan-2-ylpiperidin-4-yl)methanol

2.1.2 InChI

InChI=1S/C9H19NO/c1-8(2)10-5-3-9(7-11)4-6-10/h8-9,11H,3-7H2,1-2H3

2.1.3 InChI Key

FLKOJXQVRBGEES-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)N1CCC(CC1)CO

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 280774-03-0

2. (1-propan-2-ylpiperidin-4-yl)methanol

3. 1-isopropylpiperidine-4-methanol

4. (1-isopropyl-4-piperidyl)methanol

5. 4-piperidinemethanol, 1-(1-methylethyl)-

6. Schembl2943697

7. Dtxsid20456848

8. (1 Isopropyl-4-piperidyl)methanol

9. Albb-013224

10. (1-isopropyl-4-piperidinyl)methanol

11. Mfcd08059811

12. Zinc12382465

13. Akos005173850

14. (1-isopropyl-piperidin-4-yl)-methanol

15. Sb43023

16. 1-(1-methylethyl)-4-piperidinemethanol

17. 4-piperidinemethanol,1-(1-methylethyl)-

18. As-66150

19. [1-(propan-2-yl)piperidin-4-yl]methanol

20. Cs-0154195

21. Ft-0683161

22. 4-piperidinemethanol,1-(1-methylethyl)-(9ci)

23. D82179

24. (1-isopropylpiperidin-4-yl)methanol, Aldrichcpr

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₉NO
Molecular Weight	157.25 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	157.146664230 g/mol
Monoisotopic Mass	157.146664230 g/mol
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	106
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 280774-03-0