4-benzyl 1-tert-butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1,4-dicarboxylate

4-benzyl 1-tert-butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1,4-dicarboxylate

CAS: 1260787-80-1

Formula: C22H31NO6

SMILES: CCOC(=O)CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)OCC1=CC=CC=C1

IUPAC: 4-benzyl 1-tert-butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1,4-dicarboxylate

InChI: InChI=1S/C22H31NO6/c1-5-27-18(24)15-22(19(25)28-16-17-9-7-6-8-10-17)11-13-23(14-12-22)20(26)29-21(2,3)4/h6-10H,5,11-16H2,1-4H3

Composition: C (65.17%), H (7.71%), N (3.45%), O (23.67%)

Molar Mass: 405.491

Atom Count: 60

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	405.215137722
Formal Charge	0
FSP3	0.59
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	AUEKNOJORXIFNI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	107.74
Topological Polar Surface Area	82.14
Polarizability	42.53
Ring Count	2
Rotatable Bond Count	10

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1260787-80-1		$1,920.00-$4,070.00$1,920.00$2,420.00$4,070.00