1-[(3-bromophenyl)methyl]piperazine

1-[(3-bromophenyl)methyl]piperazine

CAS: 423154-81-8

Formula: C11H15BrN2

SMILES: BrC1=CC=CC(CN2CCNCC2)=C1

IUPAC: 1-[(3-bromophenyl)methyl]piperazine

InChI: InChI=1S/C11H15BrN2/c12-11-3-1-2-10(8-11)9-14-6-4-13-5-7-14/h1-3,8,13H,4-7,9H2

Composition: C (51.78%), H (5.93%), Br (31.32%), N (10.98%)

Molar Mass: 255.159

Atom Count: 29

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	254.041861
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	TUKZQYYLUARXKM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.98
Topological Polar Surface Area	15.27
Polarizability	24.55
Ring Count	2
Rotatable Bond Count	2

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