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tert-butyl N-methyl-N-[3-(piperazin-1-yl)propyl]carbamate

tert-butyl N-methyl-N-[3-(piperazin-1-yl)propyl]carbamate

CAS: 1313712-68-3

Formula: C13H27N3O2

SMILES: CN(CCCN1CCNCC1)C(=O)OC(C)(C)C

IUPAC: tert-butyl N-methyl-N-[3-(piperazin-1-yl)propyl]carbamate

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

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 1
InChIKey HAEMTQZTYRRCLI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.33
Topological Polar Surface Area 44.81
Polarizability 28.9
Ring Count 1
Rotatable Bond Count 6

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