3-(4-bromo-2-methylphenoxy)piperidine

3-(4-bromo-2-methylphenoxy)piperidine

CAS: 946681-39-6

Formula: C12H16BrNO

SMILES: CC1=C(OC2CCCNC2)C=CC(Br)=C1

IUPAC: 3-(4-bromo-2-methylphenoxy)piperidine

InChI: InChI=1/C12H16BrNO/c1-9-7-10(13)4-5-12(9)15-11-3-2-6-14-8-11/h4-5,7,11,14H,2-3,6,8H2,1H3

Composition: C (53.35%), H (5.97%), Br (29.58%), N (5.18%), O (5.92%)

Molar Mass: 270.17

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	269.041527
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	WEMGTNQNEPZEEF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.12
Topological Polar Surface Area	21.26
Polarizability	25.5
Ring Count	2
Rotatable Bond Count	2

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