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Ethyl 1-Piperidinepropionate

CAT: 0926-UAA65333-01Size: 0.25 gDry Ice: NoHazardous: No
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CAT#:0926-UAA65333-01Size:0.25 g
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CAS Number
19653-33-9
MDL Number
MFCD00006514
Smiles
CCOC (=O) CCN1CCCCC1
Molecular Formula
C10H19NO2
Molecular Weight
185.27 g/mol
Controlled
No

Chemical Information

1-Piperidinepropanoic acid, ethyl ester
CAS Number19653-33-9
PubChem CID88183
IUPAC Nameethyl 3-piperidin-1-ylpropanoate
Molecular FormulaC10H19NO2
Molecular Weight185.26
XLogP1.3
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count13
Formal Charge0
Complexity153
SMILES
CCOC(=O)CCN1CCCCC1
InChI
InChI=1S/C10H19NO2/c1-2-13-10(12)6-9-11-7-4-3-5-8-11/h2-9H2,1H3
InChIKey
MPAWVDTVWPPKJQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Piperidinepropanoic acid, ethyl ester
CAS: 19653-33-9
CID: 88183
Formula: C10H19NO2
MW: 185.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight185.26
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass185.141578849
Monoisotopic Mass185.141578849
Topological Polar Surface Area29.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity153
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