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4- (4-Methylphenyl) piperidine

CAT: 0024-sc-267110Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-267110Size:100 mg
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CAS Number
59083-39-5

Chemical Information

4-(4-Methylphenyl)piperidine
CAS Number59083-39-5
PubChem CID544751
IUPAC Name4-(4-methylphenyl)piperidine
Molecular FormulaC12H17N
Molecular Weight175.27
XLogP2.4
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity141
SMILES
CC1=CC=C(C=C1)C2CCNCC2
InChI
InChI=1S/C12H17N/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h2-5,12-13H,6-9H2,1H3
InChIKey
UWILYNPREMNRTF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-Methylphenyl)piperidine
CAS: 59083-39-5
CID: 544751
Formula: C12H17N
MW: 175.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight175.27
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass175.136099547
Monoisotopic Mass175.136099547
Topological Polar Surface Area12 Ų
Heavy Atom Count13
Formal Charge0
Complexity141
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes