CAS 179474-79-4

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Also known as: 1-(3-methoxypropyl)piperidin-4-amine, 179474-79-4, 4-amino-1-(3-methoxypropyl)piperidine, 4-piperidinamine, 1-(3-methoxypropyl)-, Mfcd11104531, Ec 431-950-8

Molecular Formula

C₉H₂₀N₂O

Molecular Weight

172.27 g/mol

InChI Key

HIXAJGFVNMKLML-UHFFFAOYSA-N

1 2D Structure

CAS 179474-79-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(3-methoxypropyl)piperidin-4-amine

2.1.2 InChI

InChI=1S/C9H20N2O/c1-12-8-2-5-11-6-3-9(10)4-7-11/h9H,2-8,10H2,1H3

2.1.3 InChI Key

HIXAJGFVNMKLML-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COCCCN1CCC(CC1)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1-(3-methoxypropyl)piperidin-4-amine

2. 179474-79-4

3. 4-amino-1-(3-methoxypropyl)piperidine

4. 4-piperidinamine, 1-(3-methoxypropyl)-

5. Mfcd11104531

6. Ec 431-950-8

7. Schembl6176615

8. Dtxsid80477332

9. Act09146

10. Bcp13150

11. 1-(3methoxypropyl)-4-piperidinamine

12. Zinc34974470

13. 4-piperidinamine,1-(3-methoxypropyl)

14. Akos009330878

15. Am85328

16. Ds-3987

17. Pb22465

18. Ac-28384

19. Da-21171

20. Sy033501

21. Cs-0052882

22. Ft-0763616

23. En300-65687

24. 1-(3-methoxy-propyl)-piperidin-4-ylamine

25. J-503161

26. Z1262395929

2.3 Create Date

2007-02-07

3 Chemical and Physical Properties

Molecular Formula	C₉H₂₀N₂O
Molecular Weight	172.27 g/mol
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	172.157563266 g/mol
Monoisotopic Mass	172.157563266 g/mol
Topological Polar Surface Area	38.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	111
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