2-ETHYLPIPERIDINE HYDROCHLORIDE

CAS Number: 1484-99-7
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CCC1NCCCC1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C7H15N
Molecular Weight
113.203
Drug-likeness
-0.18521
CAS
1484-99-7
InChI key
HFEDNVOKYCDBFD-FJXQXJEOSA-N
SMILES
CCC1NCCCC1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1484-99-7
Molecule Name 2-ETHYLPIPERIDINE HYDROCHLORIDE
Molecular Formula HCl.C7H15N
SMILES CCC1NCCCC1.Cl
InChI InChI=1S/C7H15N.ClH/c1-2-7-5-3-4-6-8-7;/h7-8H,2-6H2,1H3;1H/t7-;/m0./s1
InChI Key HFEDNVOKYCDBFD-FJXQXJEOSA-N
CanonicalSyTyLFy 3dbc3bd5f0771f87
TotalMolweight 149.664
Molecular Weight 113.203
MonoisotopicMass 113.120449
CLogP 1.5236
CLogS -1.773
H Acceptors 1
H Donors 1
TotalSurfaceArea 105.02
Relative PSA 0.10912
PolarSurfaceArea 12.03
Drug-likeness -0.18521
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.75
Molecula Flexibility 0.36255
Molecular Complexity 0.54931
Fragments 2
Non HAtoms 8
NonCHAtoms 1
Electronegative Atoms 1
StereoCenters 1
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Sp3Atoms 8
Amines 1
AlkylAmines 1
BasicNitrogens 1
StereoCon racemate

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