CID 93439661
PubChem CID
93439661
Structure
Molecular Formula
Status
Non-live
Molecular Weight
317.29 g/mol
Dates
- Create:2015-12-10
Chemical Structure Depiction
(2S)-N-[(4-bromothiophen-2-yl)methyl]-2-piperidin-1-ylpropan-1-amine
InChI=1S/C13H21BrN2S/c1-11(16-5-3-2-4-6-16)8-15-9-13-7-12(14)10-17-13/h7,10-11,15H,2-6,8-9H2,1H3/t11-/m0/s1
BNSULDOWJZADRK-NSHDSACASA-N
C[C@@H](CNCC1=CC(=CS1)Br)N2CCCCC2
C13H21BrN2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
317.29 g/mol
Property Name
XLogP3-AA
Property Value
3
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
316.06088 g/mol
Property Name
Monoisotopic Mass
Property Value
316.06088 g/mol
Property Name
Topological Polar Surface Area
Property Value
43.5 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
221
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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