benzyl 1,9-diazaspiro[5.5]undecane-9-carboxylate

benzyl 1,9-diazaspiro[5.5]undecane-9-carboxylate

CAS: 1158750-06-1

Formula: C17H24N2O2

SMILES: O=C(OCC1=CC=CC=C1)N1CCC2(CCCCN2)CC1

IUPAC: benzyl 1,9-diazaspiro[5.5]undecane-9-carboxylate

InChI: InChI=1S/C17H24N2O2/c20-16(21-14-15-6-2-1-3-7-15)19-12-9-17(10-13-19)8-4-5-11-18-17/h1-3,6-7,18H,4-5,8-14H2

Composition: C (70.80%), H (8.39%), N (9.71%), O (11.10%)

Molar Mass: 288.391

Atom Count: 45

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	288.183778021
Formal Charge	0
FSP3	0.59
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XPZOSNMGIILVJJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.68
Topological Polar Surface Area	41.57
Polarizability	32.55
Ring Count	3
Rotatable Bond Count	3

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