1-methylpiperidin-4-yl 3-bromobenzoate

1-methylpiperidin-4-yl 3-bromobenzoate

Formula: C13H16BrNO2

SMILES: CN1CCC(CC1)OC(=O)C1=CC=CC(Br)=C1

IUPAC: 1-methylpiperidin-4-yl 3-bromobenzoate

InChI: InChI=1S/C13H16BrNO2/c1-15-7-5-12(6-8-15)17-13(16)10-3-2-4-11(14)9-10/h2-4,9,12H,5-8H2,1H3

Composition: C (52.37%), H (5.41%), Br (26.80%), N (4.70%), O (10.73%)

Molar Mass: 298.18

Atom Count: 33

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	297.036442
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	QVCNOONEHBXBPR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.16
Topological Polar Surface Area	29.54
Polarizability	27.52
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H16BrNO2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00