Chem N Carbethoxy 4 Hydroxy Piperidine Ncc

Compound 100
  CheckMol                        TMF02:r0:m0
MF=C8H15NO3 MW=173.21
 12 12  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3045    0.7521   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6090    0.0235   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3163    2.2564   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9135    0.7757   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0353    3.0086   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    3.0086   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2180    0.0470   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0470    4.5129   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6325    4.5129   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3515    5.2650   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3633    6.7693   -0.0000 O   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
  6  9  1  0  1  0  0
  7 10  1  0  1  0  0
  9 11  1  0  1  0  0
 11 12  1  0  0  0  0
 10 11  1  0  1  0  0
M  END

N-Carbethoxy-4-Hydroxy Piperidine

₹ 0.00 0.00

Chemical Name - N-Carbethoxy-4-Hydroxy Piperidine
Mol Weight - 173.211
Smiles - CCOC(N(CC1)CCC1O)=O
InChI - QABJNOSERNVHDY-UHFFFAOYSA-N
InChIKey - InChI=1S/C8H15NO3/c1-2-12-8(11)9-5-3-7(10)4-6-9/h7,10H,2-6H2,1H3

Property Name	Property Value
Mol Name	N-Carbethoxy-4-Hydroxy Piperidine
Molweight	173.211
Monoisotopic Mass	173.105194
Clogp	0.8115
Clogs	-1.261
H Acceptors	4
H Donors	1
Total Surface Area	137.96
Relative Psa	0.28769
Polar Surface Area	49.77
Druglikeness	-2.9083
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.75
Molecular Flexibility	0.44334
Molecular Complexity	0.54931
Fragments	1
Non H Atoms	12
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Sp3 Atoms	9
Symmetric Atoms	2
Amides	1
Smiles	CCOC(N(CC1)CCC1O)=O
InChIKey	InChI=1S/C8H15NO3/c1-2-12-8(11)9-5-3-7(10)4-6-9/h7,10H,2-6H2,1H3
InChI	QABJNOSERNVHDY-UHFFFAOYSA-N

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N-Carbethoxy-4-Hydroxy Piperidine