Chem 4 Phenylpiperidine Ncc

Compound 104
  CheckMol                        TMF02:r0:m0
MF=C11H15N MW=161.25
 12 13  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5163   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2912   -0.7345   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2794    2.2745   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5825    0.0237   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5706    1.5282   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8618    2.2863   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1531    1.5400   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8500    3.8026   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4443    2.2982   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1412    4.5608   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4325    3.8145   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  1  0  0
  1  3  1  0  1  0  0
  2  4  1  0  1  0  0
  3  5  1  0  1  0  0
  4  6  1  0  1  0  0
  6  7  1  0  0  0  0
  7  8 02  0  1  0  0
  7  9 01  0  1  0  0
  8 10 01  0  1  0  0
  9 11 02  0  1  0  0
 10 12 02  0  1  0  0
  5  6  1  0  1  0  0
 11 12 01  0  1  0  0
M  END

4-Phenylpiperidine

₹ 0.00 0.00

Chemical Name - 4-Phenylpiperidine
Mol Weight - 161.247
Smiles - C(CNCC1)C1c1ccccc1
InChI - UTBULQCHEUWJNV-UHFFFAOYSA-N
InChIKey - InChI=1S/C11H15N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5,11-12H,6-9H2

Property Name	Property Value
Mol Name	4-Phenylpiperidine
Molweight	161.247
Monoisotopic Mass	161.120449
Clogp	2.4889
Clogs	-2.358
H Acceptors	1
H Donors	1
Total Surface Area	138.76
Relative Psa	0.082589
Polar Surface Area	12.03
Druglikeness	0.090817
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.66667
Molecular Flexibility	0.36072
Molecular Complexity	0.58275
Fragments	1
Non H Atoms	12
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	6
Symmetric Atoms	4
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	C(CNCC1)C1c1ccccc1
InChIKey	InChI=1S/C11H15N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5,11-12H,6-9H2
InChI	UTBULQCHEUWJNV-UHFFFAOYSA-N

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4-Phenylpiperidine