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3-[(3-bromophenyl)methyl]piperidine

3-[(3-bromophenyl)methyl]piperidine

CAS: 1158746-68-9

Formula: C12H16BrN

SMILES: BrC1=CC=CC(CC2CCCNC2)=C1

IUPAC: 3-[(3-bromophenyl)methyl]piperidine

InChI: InChI=1/C12H16BrN/c13-12-5-1-3-10(8-12)7-11-4-2-6-14-9-11/h1,3,5,8,11,14H,2,4,6-7,9H2

Composition: C (56.71%), H (6.35%), Br (31.44%), N (5.51%)

Molar Mass: 254.171

Atom Count: 30

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 253.046613
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey OQMGNSSAEYCFRL-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.63
Topological Polar Surface Area 12.03
Polarizability 24.78
Ring Count 2
Rotatable Bond Count 2

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