tert-butyl N-[4-(piperazin-1-yl)butyl]carbamate

tert-butyl N-[4-(piperazin-1-yl)butyl]carbamate

CAS: 874831-61-5

Formula: C13H27N3O2

SMILES: CC(C)(C)OC(=O)NCCCCN1CCNCC1

IUPAC: tert-butyl N-[4-(piperazin-1-yl)butyl]carbamate

InChI: InChI=1S/C13H27N3O2/c1-13(2,3)18-12(17)15-6-4-5-9-16-10-7-14-8-11-16/h14H,4-11H2,1-3H3,(H,15,17)

Composition: C (60.67%), H (10.57%), N (16.33%), O (12.43%)

Molar Mass: 257.378

Atom Count: 45

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	257.210327121
Formal Charge	0
FSP3	0.92
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	MGUWFJKBUTXYBW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.08
Topological Polar Surface Area	53.6
Polarizability	28.9
Ring Count	1
Rotatable Bond Count	7

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