tert-butyl 4-amino-4-(aminomethyl)piperidine-1-carboxylate

tert-butyl 4-amino-4-(aminomethyl)piperidine-1-carboxylate

CAS: 871115-32-1

Formula: C11H23N3O2

SMILES: CC(C)(C)OC(=O)N1CCC(N)(CN)CC1

IUPAC: tert-butyl 4-amino-4-(aminomethyl)piperidine-1-carboxylate

InChI: InChI=1S/C11H23N3O2/c1-10(2,3)16-9(15)14-6-4-11(13,8-12)5-7-14/h4-8,12-13H2,1-3H3

Composition: C (57.61%), H (10.11%), N (18.32%), O (13.95%)

Molar Mass: 229.324

Atom Count: 39

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	229.179026993
Formal Charge	0
FSP3	0.91
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	GFRZXIHYVYRFPV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.91
Topological Polar Surface Area	81.58
Polarizability	25.22
Ring Count	1
Rotatable Bond Count	3

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