Piperidine, 1,1'-(1,2-ethanediyl)bis-, dihydrochloride

CAS Number: 1932-01-0
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C(CN1CCCCC1)N1CCCCC1.Cl.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.HCl.C12H24N2
Molecular Weight
196.337
Drug-likeness
1.8826
CAS
1932-01-0
InChI key
CIVISCVQJSNJFA-UHFFFAOYSA-N
SMILES
C(CN1CCCCC1)N1CCCCC1.Cl.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1932-01-0
Molecule Name Piperidine, 1,1'-(1,2-ethanediyl)bis-, dihydrochloride
Molecular Formula HCl.HCl.C12H24N2
SMILES C(CN1CCCCC1)N1CCCCC1.Cl.Cl
InChI InChI=1S/C12H24N2.2ClH/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;;/h1-12H2;2*1H
InChI Key CIVISCVQJSNJFA-UHFFFAOYSA-N
CanonicalSyTyLFy ebe7aa057524c17d
TotalMolweight 269.258
Molecular Weight 196.337
MonoisotopicMass 196.193948
CLogP 1.8302
CLogS -1.142
H Acceptors 2
TotalSurfaceArea 172.22
Relative PSA 0.041226
PolarSurfaceArea 6.48
Drug-likeness 1.8826
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.71429
Molecula Flexibility 0.5777
Molecular Complexity 0.45984
Fragments 3
Non HAtoms 14
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 3
Rings Closures 2
Small Rings 2
Sp3Atoms 14
Symmetricatoms 9
Amines 2
AlkylAmines 2
BasicNitrogens 2

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