CID 70106579
PubChem CID
70106579
Structure
Molecular Formula
Status
Non-live
Molecular Weight
348.3 g/mol
Dates
- Create:2012-12-01
Chemical Structure Depiction
ethanol;3-(1-methylpiperidin-4-yl)-1H-indol-5-amine;dihydrochloride
InChI=1S/C14H19N3.C2H6O.2ClH/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14;1-2-3;;/h2-3,8-10,16H,4-7,15H2,1H3;3H,2H2,1H3;2*1H
KUFKJQDBFNTACU-UHFFFAOYSA-N
CCO.CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)N.Cl.Cl
C16H27Cl2N3O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
348.3 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
5
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
1
Property Name
Exact Mass
Property Value
347.1531179 g/mol
Property Name
Monoisotopic Mass
Property Value
347.1531179 g/mol
Property Name
Topological Polar Surface Area
Property Value
65.3 A^2
Property Name
Heavy Atom Count
Property Value
22
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
263
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
4
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS