Chem Tert Butyl Piperazine 1 Carboxylate

Compound 44
  CheckMol                        TMF02:r0:m0
MF=C9H18N2O2 MW=186.25
 13 13  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5114   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3225    2.2671   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2752    2.2671   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6331    1.5232   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5623    1.5350   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2634    3.7785   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9010    0.2362   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9438    0.7911   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3888    2.8339   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8493    2.3025   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5505    4.5460   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8375    3.8139   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  1  0  0
  4  7  1  0  1  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  1  0  0
  7 12  1  0  1  0  0
 11 13  1  0  1  0  0
 12 13  1  0  1  0  0
M  END

Tert-Butyl Piperazine-1-Carboxylate

₹ 0.00 0.00

Chemical Name - Tert-Butyl Piperazine-1-Carboxylate
Mol Weight - 186.254
Smiles - CC(C)(C)OC(N1CCNCC1)=O

Property Name	Property Value
Mol Name	Tert-Butyl Piperazine-1-Carboxylate
Molweight	186.254
Monoisotopic Mass	186.136828
Clogp	1.096
Clogs	-1.122
H Acceptors	4
H Donors	1
Total Surface Area	151.74
Relative Psa	0.25076
Polar Surface Area	41.57
Druglikeness	-31.55
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.61538
Molecular Flexibility	0.52732
Molecular Complexity	0.52258
Fragments	1
Non H Atoms	13
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Sp3 Atoms	10
Symmetric Atoms	4
Amides	1
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	CC(C)(C)OC(N1CCNCC1)=O
InChIKey	InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3
InChI	CWXPZXBSDSIRCS-UHFFFAOYSA-N

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Tert-Butyl Piperazine-1-Carboxylate