CAS 54012-73-6

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2 End Use APIs
89 Related Intermediates

Chemistry

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Also known as: 3-aminopiperidine, 54012-73-6, 3-piperidinamine, Piperidin-3-ylamine, (+)-noesreagent, (3rs)-3-aminopiperidine

Molecular Formula

C₅H₁₂N₂

Molecular Weight

100.16 g/mol

InChI Key

PEUGKEHLRUVPAN-UHFFFAOYSA-N

1 2D Structure

CAS 54012-73-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

piperidin-3-amine

2.1.2 InChI

InChI=1S/C5H12N2/c6-5-2-1-3-7-4-5/h5,7H,1-4,6H2

2.1.3 InChI Key

PEUGKEHLRUVPAN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC(CNC1)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 3-aminopiperidine

2. 54012-73-6

3. 3-piperidinamine

4. Piperidin-3-ylamine

5. (+)-noesreagent

6. (3rs)-3-aminopiperidine

7. Schembl11946

8. Dtxsid90276414

9. Peugkehlruvpan-uhfffaoysa-n

10. Amy19293

11. Bcp10242

12. Mfcd04972497

13. Akos005206889

14. Cs-w005316

15. Sb43018

16. Sb45192

17. Ac-13109

18. Ds-15819

19. Ft-0602178

20. Ft-0657389

21. Ft-0658224

22. En300-42328

23. D77676

24. A829907

25. Q-103035

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₅H₁₂N₂
Molecular Weight	100.16 g/mol
XLogP3	-0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	38
Heavy Atom Count	7
Formal Charge	0
Complexity	54
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1