Mrv1572004191602062D          

  8  7  0  0  0  0            999 V2000
    0.7145   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.6482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.4143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7180    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  5  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM007759

> <DATABASE_NAME>
chemdb

> <SMILES>
Cl.OC1CCCNC1

> <INCHI_IDENTIFIER>
InChI=1S/C5H11NO.ClH/c7-5-2-1-3-6-4-5;/h5-7H,1-4H2;1H

> <INCHI_KEY>
VLECDMDGMKPUSK-UHFFFAOYSA-N

> <FORMULA>
C5H12ClNO

> <MOLECULAR_WEIGHT>
137.61

> <EXACT_MASS>
137.0607417

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
11.279222792478578

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
piperidin-3-ol hydrochloride

> <ALOGPS_LOGP>
-0.45

> <JCHEM_LOGP>
-0.41741594699999995

> <ALOGPS_LOGS>
0.78

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.895533404490621

> <JCHEM_PKA_STRONGEST_BASIC>
9.74681808628077

> <JCHEM_POLAR_SURFACE_AREA>
32.26

> <JCHEM_REFRACTIVITY>
28.1969

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.06e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
piperidin-3-ol hydrochloride

> <JCHEM_VEBER_RULE>
1

> <NAME>
2,3,5-TRIMETHYLPYRAZINE

> <CAS>
14667-55-1

> <SYNONYMS>
Trimethylpyrazine

$$$$