1-tert-butyl 4-ethyl 4-(cyanomethyl)piperidine-1,4-dicarboxylate

1-tert-butyl 4-ethyl 4-(cyanomethyl)piperidine-1,4-dicarboxylate

CAS: 495414-81-8

Formula: C15H24N2O4

SMILES: CCOC(=O)C1(CC#N)CCN(CC1)C(=O)OC(C)(C)C

IUPAC: 1-tert-butyl 4-ethyl 4-(cyanomethyl)piperidine-1,4-dicarboxylate

InChI: InChI=1S/C15H24N2O4/c1-5-20-12(18)15(6-9-16)7-10-17(11-8-15)13(19)21-14(2,3)4/h5-8,10-11H2,1-4H3

Composition: C (60.79%), H (8.16%), N (9.45%), O (21.59%)

Molar Mass: 296.367

Atom Count: 45

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	296.173607261
Formal Charge	0
FSP3	0.8
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	BLRYELPWMVHGPZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.33
Topological Polar Surface Area	79.63
Polarizability	30.2
Ring Count	1
Rotatable Bond Count	6

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	495414-81-8		$95.84$95.84