tert-butyl 4-(4-bromobenzoyl)piperidine-1-carboxylate

tert-butyl 4-(4-bromobenzoyl)piperidine-1-carboxylate

CAS: 439811-37-7

Formula: C17H22BrNO3

SMILES: CC(C)(C)OC(=O)N1CCC(CC1)C(=O)C1=CC=C(Br)C=C1

IUPAC: tert-butyl 4-(4-bromobenzoyl)piperidine-1-carboxylate

InChI: InChI=1S/C17H22BrNO3/c1-17(2,3)22-16(21)19-10-8-13(9-11-19)15(20)12-4-6-14(18)7-5-12/h4-7,13H,8-11H2,1-3H3

Composition: C (55.44%), H (6.02%), Br (21.70%), N (3.80%), O (13.03%)

Molar Mass: 368.271

Atom Count: 44

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	367.078307
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	CJXZBFPDZDHCJT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.51
Topological Polar Surface Area	46.61
Polarizability	34.6
Ring Count	2
Rotatable Bond Count	4

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