1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-[[(1-cyclopentylpiperidin-3-yl)methyl-(2-piperidin-1-ylethyl)amino]methyl]-2-methoxyphenol

2.1.2 InChI

InChI=1S/C26H43N3O2/c1-31-26-12-11-22(18-25(26)30)19-28(17-16-27-13-5-2-6-14-27)20-23-8-7-15-29(21-23)24-9-3-4-10-24/h11-12,18,23-24,30H,2-10,13-17,19-21H2,1H3

2.1.3 InChI Key

KGSZXPDVBFXVJJ-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Cx11

2. 5-[[(1-cyclopentyl-3-piperidyl)methyl-[2-(1-piperidyl)ethyl]amino]methyl]-2-methoxy-phenol

2.3 Create Date

2010-04-27

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₄₃N₃O₂
Molecular Weight	429.6 g/mol
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	39.2
Heavy Atom Count	31
Formal Charge	0
Complexity	507
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CX11

CX11

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