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2- (2-Phenylethyl) piperidin-3-ol

CAT: 0926-XXC64991-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-XXC64991-01Size:50 mg
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CAS Number
1822649-91-1
MDL Number
MFCD24670337
Smiles
C1CC (C (NC1) CCC2=CC=CC=C2) O
Molecular Formula
C13H19NO
Molecular Weight
205.3 g/mol
Controlled
No

Chemical Information

2-(2-Phenylethyl)piperidin-3-ol
CAS Number1822649-91-1
PubChem CID72960852
IUPAC Name2-(2-phenylethyl)piperidin-3-ol
Molecular FormulaC13H19NO
Molecular Weight205.30
XLogP2
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity177
SMILES
C1CC(C(NC1)CCC2=CC=CC=C2)O
InChI
InChI=1S/C13H19NO/c15-13-7-4-10-14-12(13)9-8-11-5-2-1-3-6-11/h1-3,5-6,12-15H,4,7-10H2
InChIKey
MEMLNRRWCTXOSH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Phenylethyl)piperidin-3-ol
CAS: 1822649-91-1
CID: 72960852
Formula: C13H19NO
MW: 205.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight205.30
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass205.146664230
Monoisotopic Mass205.146664230
Topological Polar Surface Area32.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity177
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes