Chem Ethyl 4 Amino 1 Piperidinecarboxylate Ncc

Compound 97
  CheckMol                        TMF02:r0:m0
MF=C8H16N2O2 MW=172.23
 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
   -0.0119   -1.4953   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3291   -2.2429   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2817   -2.2429   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6464   -1.4834   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5752   -1.4834   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2698   -3.7382   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9636   -2.2310   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8687   -2.2310   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5633   -4.4739   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8568   -3.7263   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1503   -4.4739   -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
  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

Ethyl 4-amino-1-piperidinecarboxylate

₹ 0.00 0.00

Chemical Name - Ethyl 4-amino-1-piperidinecarboxylate
Mol Weight - 172.227
Smiles - CCOC(N(CC1)CCC1N)=O
InChI - GQQQULCEHJQUJT-UHFFFAOYSA-N
InChIKey - InChI=1S/C8H16N2O2/c1-2-12-8(11)10-5-3-7(9)4-6-10/h7H,2-6,9H2,1H3

Property Name	Property Value
Mol Name	Ethyl 4-amino-1-piperidinecarboxylate
Molweight	172.227
Monoisotopic Mass	172.121178
Clogp	0.4137
Clogs	-1.337
H Acceptors	4
H Donors	1
Total Surface Area	140.13
Relative Psa	0.29872
Polar Surface Area	55.56
Druglikeness	-3.5349
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.75
Molecular Flexibility	0.43512
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
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	CCOC(N(CC1)CCC1N)=O
InChIKey	InChI=1S/C8H16N2O2/c1-2-12-8(11)10-5-3-7(9)4-6-10/h7H,2-6,9H2,1H3
InChI	GQQQULCEHJQUJT-UHFFFAOYSA-N

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Ethyl 4-amino-1-piperidinecarboxylate