2-[4-(methoxycarbonyl)piperidin-1-yl]pyrimidin-5-ylboronic acid

2-[4-(methoxycarbonyl)piperidin-1-yl]pyrimidin-5-ylboronic acid

CAS: 1536398-19-2

Formula: C11H16BN3O4

SMILES: COC(=O)C1CCN(CC1)C1=NC=C(C=N1)B(O)O

IUPAC: {2-[4-(methoxycarbonyl)piperidin-1-yl]pyrimidin-5-yl}boronic acid

InChI: InChI=1S/C11H16BN3O4/c1-19-10(16)8-2-4-15(5-3-8)11-13-6-9(7-14-11)12(17)18/h6-8,17-18H,2-5H2,1H3

Composition: C (49.84%), H (6.08%), B (4.08%), N (15.85%), O (24.14%)

Molar Mass: 265.08

Atom Count: 35

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	265.123386
Formal Charge	0
FSP3	0.55
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	KBNOLNOVDAQIAK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.79
Topological Polar Surface Area	95.78
Polarizability	25.9
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1536398-19-2		$116.01-$426.22$116.01$180.32$426.22