tert-butyl 7-benzyl-9-(hydroxymethyl)-2,7-diazaspiro[4.4]nonane-2-carboxylate

tert-butyl 7-benzyl-9-(hydroxymethyl)-2,7-diazaspiro[4.4]nonane-2-carboxylate

CAS: 1823258-46-3

Formula: C20H30N2O3

SMILES: CC(C)(C)OC(=O)N1CCC2(CN(CC3=CC=CC=C3)CC2CO)C1

IUPAC: tert-butyl 7-benzyl-9-(hydroxymethyl)-2,7-diazaspiro[4.4]nonane-2-carboxylate

InChI: InChI=1/C20H30N2O3/c1-19(2,3)25-18(24)22-10-9-20(15-22)14-21(12-17(20)13-23)11-16-7-5-4-6-8-16/h4-8,17,23H,9-15H2,1-3H3

Composition: C (69.33%), H (8.73%), N (8.09%), O (13.85%)

Molar Mass: 346.471

Atom Count: 55

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	346.225642834
Formal Charge	0
FSP3	0.65
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	XKJXXKAAKCOIQB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.78
Topological Polar Surface Area	53.01
Polarizability	38.7
Ring Count	3
Rotatable Bond Count	5

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