4-{[2-(piperidin-1-yl)ethyl]carbamoyl}phenylboronic acid

4-{[2-(piperidin-1-yl)ethyl]carbamoyl}phenylboronic acid

Formula: C14H21BN2O3

SMILES: OB(O)C1=CC=C(C=C1)C(=O)NCCN1CCCCC1

IUPAC: (4-{[2-(piperidin-1-yl)ethyl]carbamoyl}phenyl)boronic acid

InChI: InChI=1S/C14H21BN2O3/c18-14(12-4-6-13(7-5-12)15(19)20)16-8-11-17-9-2-1-3-10-17/h4-7,19-20H,1-3,8-11H2,(H,16,18)

Composition: C (60.89%), H (7.67%), B (3.91%), N (10.14%), O (17.38%)

Molar Mass: 276.14

Atom Count: 41

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	276.164523
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	NNAVSMPHTRHGJP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.74
Topological Polar Surface Area	72.8
Polarizability	30.05
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C14H21BN2O3		Quote Only