1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine

1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine

CAS: 1247000-92-5

Formula: C18H28BNO2

SMILES: CN1CCC(CC1)C1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: 1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine

InChI: InChI=1S/C18H28BNO2/c1-17(2)18(3,4)22-19(21-17)16-8-6-14(7-9-16)15-10-12-20(5)13-11-15/h6-9,15H,10-13H2,1-5H3

Composition: C (71.77%), H (9.37%), B (3.59%), N (4.65%), O (10.62%)

Molar Mass: 301.24

Atom Count: 50

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	301.221309
Formal Charge	0
FSP3	0.67
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	UMZNHRTZPNOQHN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.43
Topological Polar Surface Area	21.7
Polarizability	35.79
Ring Count	3
Rotatable Bond Count	2

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