1-(3-Chloro-4-methylphenyl)piperidine

Formula:C12H16NCl CAS:1000339-31-0 ChemrytIQ

PropertyValue
Casrn1000339-31-0
MolName1-(3-Chloro-4-methylphenyl)piperidine
MolecularFormulaC12H16NCl
SmilesCc(ccc(N1CCCCC1)c1)c1Cl
InChIInChI=1S/C12H16ClN/c1-10-5-6-11(9-12(10)13)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKBVTFSKQEMUXBLP-UHFFFAOYSA-N
CanonicalSyTyLFy846ebdaed2562313
TotalMolweight209.719
Molweight209.719
MonoisotopicMass209.097126
CLogP3.4425
CLogS-3.688
H Acceptors1
TotalSurfaceArea166.54
Relative PSA0.021316
PolarSurfaceArea3.24
Druglikeness0.65299
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.64286
Molecula Flexibility0.43226
Molecular Complexity0.63126
Fragments1
Non HAtoms14
NonCHAtoms2
Electronegative Atoms2
Rotatable Bond1
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms6
Symmetricatoms2
Amines1
Aromatic Amines1
StereoCon
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness ChemrytIQ
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10000-42-7highhighlowC20H18N4O3362.388-5.7793 ChemrytIQ
1000-46-0nonenonenoneC7H18Ge174.83-4.6976 ChemrytIQ
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100-76-5nonenonehighC7H13N111.1873.5517 ChemrytIQ
10002-30-9nonenonenoneC12H9NOS215.2750.083087 ChemrytIQ
1000269-66-8nonenonenoneC12H20N4220.3190.5423 ChemrytIQ
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100-54-9nonenonenoneC6H4N2104.112-6.0498 ChemrytIQ
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1000198-76-4nonenonenoneC11H12NF3215.217-5.8988 ChemrytIQ
100009-23-2nonenonehighC17H22226.362-9.7346 ChemrytIQ
100-92-5nonenonenoneC11H17N163.2631.1672 ChemrytIQ
100-89-0nonenonelowC18H36O6B2370.1-16.157 ChemrytIQ
10001-51-1nonenonenoneC9H18N2O170.2555.9677 ChemrytIQ
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100005-01-4nonenonehighC8H21BrSSi2285.397-52.815 ChemrytIQ
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10001-13-5nonenonehighC12H22N2O210.323.9217 ChemrytIQ
100004-81-7nonenonenoneC13H11NO3229.234-1.3547 ChemrytIQ
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