CAS 349535-15-5

1 2D Structure

CAS 349535-15-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(1-methylpiperidin-4-yl)piperazine;trihydrochloride

2.1.2 InChI

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

2.1.3 InChI Key

NDZOOUAUKYVQEO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1CCC(CC1)N2CCNCC2.Cl.Cl.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 349535-15-5

2. 1-(1-methylpiperidin-4-yl)piperazine 3hcl

3. Cs-0145450

4. 1-(1-methylpiperidin-4-yl)piperazine;trihydrochloride

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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