ethyl 3-{4-[(1r,3r,5r,7r)-adamantan-2-yl]piperazin-1-yl}propanoate

ethyl 3-{4-[(1r,3r,5r,7r)-adamantan-2-yl]piperazin-1-yl}propanoate

Formula: C19H32N2O2

SMILES: CCOC(=O)CCN1CCN(CC1)C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2

IUPAC: ethyl 3-{4-[(1r,3r,5r,7r)-adamantan-2-yl]piperazin-1-yl}propanoate

InChI: InChI=1/C19H32N2O2/c1-2-23-18(22)3-4-20-5-7-21(8-6-20)19-16-10-14-9-15(12-16)13-17(19)11-14/h14-17,19H,2-13H2,1H3/t14-,15+,16-,17+,19?

Composition: C (71.21%), H (10.07%), N (8.74%), O (9.98%)

Molar Mass: 320.477

Atom Count: 55

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	320.246378278
Formal Charge	0
FSP3	0.95
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	OKQGSGYIVICWTO-NPWSMHQMNA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.79
Topological Polar Surface Area	32.78
Polarizability	36.63
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H32N2O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00