CAS 1621519-77-4

1 2D Structure

CAS 1621519-77-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-methyl-4-piperidin-4-ylpiperazine;trihydrochloride

2.1.2 InChI

InChI=1S/C10H21N3.3ClH/c1-12-6-8-13(9-7-12)10-2-4-11-5-3-10;;;/h10-11H,2-9H2,1H3;3*1H

2.1.3 InChI Key

ASCIYPSDBMWEQD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1CCN(CC1)C2CCNCC2.Cl.Cl.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1621519-77-4

2. 1-methyl-4-(piperidin-4-yl)piperazine 3hcl

3. 1-methyl-4-piperidin-4-ylpiperazine;trihydrochloride

4. 1-methyl-4-(4-piperidyl)piperazine Trihydrochloride

5. Mfcd22573740

6. 1-methyl-4-(piperidin-4-yl)piperazinetrihydrochloride

7. Bcp30624

8. Akos027252272

9. Ab92330

10. Bs-15505

11. Sy262818

12. 1-methyl-4-(4-piperidine)piperazine 3hcl

13. 1-methyl-4-(4-piperidinyl)piperazine 3hcl

14. Cs-0145445

15. A1-00502

2.3 Create Date

2013-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₂₄Cl₃N₃
Molecular Weight	292.7 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	18.5
Heavy Atom Count	16
Formal Charge	0
Complexity	146
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	4

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