188646-83-5

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(dimethoxymethyl)piperidine

2.1.2 InChI

InChI=1S/C8H17NO2/c1-10-8(11-2)7-3-5-9-6-4-7/h7-9H,3-6H2,1-2H3

2.1.3 InChI Key

XYPNDIREOHZKFS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC(C1CCNCC1)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 188646-83-5

2. Piperidine, 4-(dimethoxymethyl)-

3. 4-(dimethoxymethyl)-piperidine

4. Mfcd09991908

5. Schembl1689631

6. Dtxsid70595539

7. Akos006311334

8. Sy278575

9. Ws-02474

10. E74114

11. En300-1738099

12. A903636

2.3 Create Date

2007-12-04

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₇NO₂
Molecular Weight	159.23 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	30.5
Heavy Atom Count	11
Formal Charge	0
Complexity	98.3
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

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