C1CNCCC1N2CCC3=C2C=C(C=C3)Br
CAS: 214614-92-3
Name: 6-bromo-1-piperidin-4-yl-2,3-dihydroindole
SMILES: C1CNCCC1N2CCC3=C2C=C(C=C3)Br

Molecular Processing

Molecular formula
C13H17BrN2
Molecular weight
281.2
Exact mass
280.0575
XLogP
2.56
TPSA
15.27
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
16
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
71.08

Supplementary Information

InChIKey: VZJVRUJSXUHBQP-UHFFFAOYSA-N
Synonyme
1-(Piperidin-4-yl)-6-bromoindolineSCHEMBL5871363VZJVRUJSXUHBQP-UHFFFAOYSA-NDTXSID801242742214614-92-36-Bromo-2,3-dihydro-1-(4-piperidinyl)-1H-indole6-Bromo-1-(piperidin-4-yl)-2,3-dihydro-1H-indole
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