Chem N Benzyl 4 Chloro Piperidine Ncc | Cheminformatics
2D Structure

N-Benzyl-4-Chloro Piperidine


  • SKU Code: CH142135
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Chemical Name - N-Benzyl-4-Chloro Piperidine
Mol Weight - 209.719
Smiles - ClC1CCN(Cc2ccccc2)CC1
InChI - HEDDTLVBWCOBRG-UHFFFAOYSA-N
InChIKey - InChI=1S/C12H16ClN/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
Property Name Property Value
Mol NameN-Benzyl-4-Chloro Piperidine
Molweight209.719
Monoisotopic Mass209.097126
Clogp2.7005
Clogs-2.413
H Acceptors1
Total Surface Area166.78
Relative Psa0.021286
Polar Surface Area3.24
Druglikeness4.3518
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.71429
Molecular Flexibility0.43302
Molecular Complexity0.52337
Fragments1
Non H Atoms14
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds2
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms7
Symmetric Atoms4
Amines1
Alkyl Amines1
Basic Nitrogens1
SmilesClC1CCN(Cc2ccccc2)CC1
InChIKeyInChI=1S/C12H16ClN/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIHEDDTLVBWCOBRG-UHFFFAOYSA-N

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