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3- (3-Phenylpropyl) piperidine

CAT: 0926-DCA29596-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-DCA29596-01Size:50 mg
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CAS Number
53295-96-8
MDL Number
MFCD13562906
Smiles
C1CC (CNC1) CCCC2=CC=CC=C2
Molecular Formula
C14H21N
Molecular Weight
203.32 g/mol
Controlled
No

Chemical Information

3-(3-Phenylpropyl)piperidine
CAS Number53295-96-8
PubChem CID22751027
IUPAC Name3-(3-phenylpropyl)piperidine
Molecular FormulaC14H21N
Molecular Weight203.32
XLogP3.4
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity161
SMILES
C1CC(CNC1)CCCC2=CC=CC=C2
InChI
InChI=1S/C14H21N/c1-2-6-13(7-3-1)8-4-9-14-10-5-11-15-12-14/h1-3,6-7,14-15H,4-5,8-12H2
InChIKey
UUCYUPRGHXODQD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(3-Phenylpropyl)piperidine
CAS: 53295-96-8
CID: 22751027
Formula: C14H21N
MW: 203.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight203.32
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass203.167399674
Monoisotopic Mass203.167399674
Topological Polar Surface Area12 Ų
Heavy Atom Count15
Formal Charge0
Complexity161
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

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