1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-N-piperidin-4-ylpyridine-2,3-diamine;dihydrochloride

2.1.2 InChI

InChI=1S/C10H16N4.2ClH/c11-10-9(2-1-5-13-10)14-8-3-6-12-7-4-8;;/h1-2,5,8,12,14H,3-4,6-7H2,(H2,11,13);2*1H

2.1.3 InChI Key

UHLJULSYFLEASQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CNCCC1NC2=C(N=CC=C2)N.Cl.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Schembl12469771

2. Db-085230

3. 1373116-08-5

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₈Cl₂N₄
Molecular Weight	265.18 g/mol
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	63
Heavy Atom Count	16
Formal Charge	0
Complexity	168
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	3

N3-4-piperidinyl-2,3-pyridinediamine 2HCl