CID 39369288
PubChem CID
39369288
Structure
Molecular Formula
Status
Non-live
Molecular Weight
270.77 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
1-[3-(4-chlorophenoxy)propyl]piperidin-1-ium-4-ol
InChI=1S/C14H20ClNO2/c15-12-2-4-14(5-3-12)18-11-1-8-16-9-6-13(17)7-10-16/h2-5,13,17H,1,6-11H2/p+1
YHMSXOINLQLSDZ-UHFFFAOYSA-O
C1C[NH+](CCC1O)CCCOC2=CC=C(C=C2)Cl
C14H21ClNO2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
270.77 g/mol
Property Name
XLogP3-AA
Property Value
2.8
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
270.1260816 g/mol
Property Name
Monoisotopic Mass
Property Value
270.1260816 g/mol
Property Name
Topological Polar Surface Area
Property Value
33.9 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
224
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
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS