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4- (Oxan-2-yl) piperidine

CAT: 0926-XLC85100-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-XLC85100-01Size:100 mg
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CAS Number
1547851-00-2
MDL Number
MFCD28636555
Smiles
C1CCOC (C1) C2CCNCC2
Molecular Formula
C10H19NO
Molecular Weight
169.26 g/mol
Controlled
No

Chemical Information

4-(Oxan-2-yl)piperidine
CAS Number1547851-00-2
PubChem CID84021623
IUPAC Name4-(oxan-2-yl)piperidine
Molecular FormulaC10H19NO
Molecular Weight169.26
XLogP1.3
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity132
SMILES
C1CCOC(C1)C2CCNCC2
InChI
InChI=1S/C10H19NO/c1-2-8-12-10(3-1)9-4-6-11-7-5-9/h9-11H,1-8H2
InChIKey
OLRZVFFCBMLQQX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Oxan-2-yl)piperidine
CAS: 1547851-00-2
CID: 84021623
Formula: C10H19NO
MW: 169.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight169.26
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass169.146664230
Monoisotopic Mass169.146664230
Topological Polar Surface Area21.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity132
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