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2-Pentylpiperidine

CAT: 0926-IBA35497-02Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-IBA35497-02Size:0.5 g
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CAS Number
33354-97-1
MDL Number
MFCD02663563
Smiles
CCCCCC1CCCCN1
Molecular Formula
C10H21N
Molecular Weight
155.28 g/mol
Controlled
No

Chemical Information

2-Pentylpiperidine

2-pentyl-Piperidine is a citraconoyl group.

CAS Number33354-97-1
PubChem CID558517
IUPAC Name2-pentylpiperidine
Molecular FormulaC10H21N
Molecular Weight155.28
XLogP3
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity90
SMILES
CCCCCC1CCCCN1
InChI
InChI=1S/C10H21N/c1-2-3-4-7-10-8-5-6-9-11-10/h10-11H,2-9H2,1H3
InChIKey
HBIBRQBCQFXEDA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Pentylpiperidine
CAS: 33354-97-1
CID: 558517
Formula: C10H21N
MW: 155.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight155.28
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass155.167399674
Monoisotopic Mass155.167399674
Topological Polar Surface Area12 Ų
Heavy Atom Count11
Formal Charge0
Complexity90.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes