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Chem 44 Piperidinediol Hydrochloride Ncc | Cheminformatics
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4,4-Piperidinediol hydrochloride


  • SKU Code: CH142071
Chemical Name - 4,4-Piperidinediol hydrochloride
Mol Weight - 117.147
Smiles - OC1(CCNCC1)O.Cl
InChI - BQOLKFJNJCOALF-UHFFFAOYSA-N
InChIKey - InChI=1S/C5H11NO2.ClH/c7-5(8)1-3-6-4-2-5;/h6-8H,1-4H2;1H
Property Name Property Value
Mol Name4,4-Piperidinediol hydrochloride
Molweight117.147
Monoisotopic Mass117.078979
Clogp-0.5185
Clogs-0.409
H Acceptors3
H Donors3
Total Surface Area89.61
Relative Psa0.42027
Polar Surface Area52.49
Druglikeness0.67525
Mutagenicnone
Tumorigenicnone
Reproductive Effectivelow
Irritantlow
Shape Index0.625
Molecular Flexibility0.21078
Molecular Complexity0.59947
Fragments2
Non H Atoms8
Non Ch Atoms3
Electronegative Atoms3
Rings Closures1
Small Rings1
Sp3 Atoms8
Symmetric Atoms3
Amines1
Alkyl Amines1
Basic Nitrogens1
SmilesOC1(CCNCC1)O.Cl
InChIKeyInChI=1S/C5H11NO2.ClH/c7-5(8)1-3-6-4-2-5;/h6-8H,1-4H2;1H
InChIBQOLKFJNJCOALF-UHFFFAOYSA-N

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