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245057-69-6 | Benzo[1,3]dioxol-5-yl-piperidin-4-yl-amine
CAS No: 245057-69-6 Catalog No: AG01FBE4 MDL No:
Product Description
Catalog Number:
AG01FBE4
Chemical Name:
Benzo[1,3]dioxol-5-yl-piperidin-4-yl-amine
CAS Number:
245057-69-6
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
IUPAC Name:
N-(1,3-benzodioxol-5-yl)piperidin-4-amine
InChI:
InChI=1S/C12H16N2O2/c1-2-11-12(16-8-15-11)7-10(1)14-9-3-5-13-6-4-9/h1-2,7,9,13-14H,3-6,8H2
InChI Key:
PGCRTEAGKACZMD-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)Nc1ccc2c(c1)OCO2
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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