tert-butyl 3-butylpiperazine-1-carboxylate

tert-butyl 3-butylpiperazine-1-carboxylate

CAS: 1027511-70-1

Formula: C13H26N2O2

SMILES: CCCCC1CN(CCN1)C(=O)OC(C)(C)C

IUPAC: tert-butyl 3-butylpiperazine-1-carboxylate

InChI: InChI=1/C13H26N2O2/c1-5-6-7-11-10-15(9-8-14-11)12(16)17-13(2,3)4/h11,14H,5-10H2,1-4H3

Composition: C (64.43%), H (10.81%), N (11.56%), O (13.20%)

Molar Mass: 242.363

Atom Count: 43

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	242.199428085
Formal Charge	0
FSP3	0.92
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ZNICOTLOPCODTO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.59
Topological Polar Surface Area	41.57
Polarizability	27.37
Ring Count	1
Rotatable Bond Count	5

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