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

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

CAS: 1245505-23-0

Formula: C17H27BN2O2

SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(CN2CCNCC2)C=C1

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

InChI: InChI=1S/C17H27BN2O2/c1-16(2)17(3,4)22-18(21-16)15-7-5-14(6-8-15)13-20-11-9-19-10-12-20/h5-8,19H,9-13H2,1-4H3

Composition: C (67.56%), H (9.01%), B (3.58%), N (9.27%), O (10.59%)

Molar Mass: 302.23

Atom Count: 49

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 302.216558
Formal Charge 0
FSP3 0.65
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey YDTPVWQNUYEICI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 85.01
Topological Polar Surface Area 33.73
Polarizability 35.55
Ring Count 3
Rotatable Bond Count 3

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