Chem 44 Di Methoxy Piperidine Ncc

Compound 68
  CheckMol                        TMF02:r0:m0
MF=C7H15NO2 MW=145.20
 10 10  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3131   -0.7334   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2894   -0.7334   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0237   -1.4787   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6262    0.0355   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3249   -2.2240   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0355   -2.9693   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9393   -0.6980   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6380   -2.9574   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9511   -2.1885   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  1  0  0
  2  6  1  0  1  0  0
  4  7  1  0  0  0  0
  5  8  1  0  1  0  0
  6  9  1  0  1  0  0
  8 10  1  0  1  0  0
  9 10  1  0  1  0  0
M  END

4,4 Di Methoxy Piperidine

₹ 0.00 0.00

Chemical Name - 4,4 Di Methoxy Piperidine
Mol Weight - 145.201
Smiles - COC1(CCNCC1)OC
InChI - ONHQQEBZVXXMRC-UHFFFAOYSA-N
InChIKey - InChI=1S/C7H15NO2/c1-9-7(10-2)3-5-8-6-4-7/h8H,3-6H2,1-2H3

Property Name	Property Value
Mol Name	4,4 Di Methoxy Piperidine
Molweight	145.201
Monoisotopic Mass	145.110279
Clogp	0.3373
Clogs	-0.665
H Acceptors	3
H Donors	1
Total Surface Area	121.43
Relative Psa	0.25908
Polar Surface Area	30.49
Druglikeness	-10.352
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.6
Molecular Flexibility	0.50288
Molecular Complexity	0.58889
Fragments	1
Non H Atoms	10
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Sp3 Atoms	10
Symmetric Atoms	4
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	COC1(CCNCC1)OC
InChIKey	InChI=1S/C7H15NO2/c1-9-7(10-2)3-5-8-6-4-7/h8H,3-6H2,1-2H3
InChI	ONHQQEBZVXXMRC-UHFFFAOYSA-N

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4,4 Di Methoxy Piperidine