4-methyl-3-[3-(piperazin-1-yl)propoxy]phenylboronic acid

4-methyl-3-[3-(piperazin-1-yl)propoxy]phenylboronic acid

CAS: 1704064-32-3

Formula: C14H23BN2O3

SMILES: CC1=C(OCCCN2CCNCC2)C=C(C=C1)B(O)O

IUPAC: {4-methyl-3-[3-(piperazin-1-yl)propoxy]phenyl}boronic acid

InChI: InChI=1S/C14H23BN2O3/c1-12-3-4-13(15(18)19)11-14(12)20-10-2-7-17-8-5-16-6-9-17/h3-4,11,16,18-19H,2,5-10H2,1H3

Composition: C (60.45%), H (8.33%), B (3.89%), N (10.07%), O (17.26%)

Molar Mass: 278.16

Atom Count: 43

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	278.180173
Formal Charge	0
FSP3	0.57
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	ONNKKYPAZMNVQD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.75
Topological Polar Surface Area	64.96
Polarizability	31.19
Ring Count	2
Rotatable Bond Count	6

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