ethyl 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperidine-3-carboxylate

ethyl 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperidine-3-carboxylate

CAS: 1073355-04-0

Formula: C21H30BNO5

SMILES: CCOC(=O)C1CCCN(C1)C(=O)C1=CC=CC(=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: ethyl 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperidine-3-carboxylate

InChI: InChI=1/C21H30BNO5/c1-6-26-19(25)16-10-8-12-23(14-16)18(24)15-9-7-11-17(13-15)22-27-20(2,3)21(4,5)28-22/h7,9,11,13,16H,6,8,10,12,14H2,1-5H3

Composition: C (65.13%), H (7.81%), B (2.79%), N (3.62%), O (20.66%)

Molar Mass: 387.28

Atom Count: 58

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	387.221703
Formal Charge	0
FSP3	0.62
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	NLVFARDMEGKIKR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	102.33
Topological Polar Surface Area	65.07
Polarizability	41.61
Ring Count	3
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1073355-04-0		$39.09-$174.02$39.09$68.09$174.02