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N-Carbethoxy-4-hydroxypiperidine

CAT: 0926-QCA21482Size: 0.5 KgDry Ice: NoHazardous: No
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CAT#:0926-QCA21482Size:0.5 Kg
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CAS Number
65214-82-6
MDL Number
MFCD00086880
Smiles
CCOC (=O) N1CCC (CC1) O
Molecular Formula
C8H15NO3
Molecular Weight
173.21 g/mol
Controlled
No

Chemical Information

Ethyl 4-hydroxypiperidine-1-carboxylate
CAS Number65214-82-6
PubChem CID96394
IUPAC Nameethyl 4-hydroxypiperidine-1-carboxylate
Molecular FormulaC8H15NO3
Molecular Weight173.21
XLogP0.4
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity152
SMILES
CCOC(=O)N1CCC(CC1)O
InChI
InChI=1S/C8H15NO3/c1-2-12-8(11)9-5-3-7(10)4-6-9/h7,10H,2-6H2,1H3
InChIKey
QABJNOSERNVHDY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 4-hydroxypiperidine-1-carboxylate
CAS: 65214-82-6
CID: 96394
Formula: C8H15NO3
MW: 173.21
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight173.21
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass173.10519334
Monoisotopic Mass173.10519334
Topological Polar Surface Area49.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity152
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