1-{2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl}piperidine

1-{2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl}piperidine

CAS: 934586-49-9

Formula: C19H30BNO3

SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(OCCN2CCCCC2)C=C1

IUPAC: 1-{2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl}piperidine

InChI: InChI=1S/C19H30BNO3/c1-18(2)19(3,4)24-20(23-18)16-8-10-17(11-9-16)22-15-14-21-12-6-5-7-13-21/h8-11H,5-7,12-15H2,1-4H3

Composition: C (68.89%), H (9.13%), B (3.26%), N (4.23%), O (14.49%)

Molar Mass: 331.26

Atom Count: 54

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	331.231874
Formal Charge	0
FSP3	0.68
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	JKCDXXAFGMZLQJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.34
Topological Polar Surface Area	30.93
Polarizability	38.37
Ring Count	3
Rotatable Bond Count	5

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