Ethyl 1-methylpipecolinate

CAT: 0127-OR904078-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR904078-01Size:5 g

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CAS Number

30727-18-5

MDL Number

MFCD00006492

Purity

97%

Smiles

CCOC(=O)C1CCCCN1C

Chemical Information

Ethyl 1-methylpiperidine-2-carboxylate

CAS Number	30727-18-5
PubChem CID	566742
IUPAC Name	ethyl 1-methylpiperidine-2-carboxylate
Molecular Formula	C9H17NO2
Molecular Weight	171.24
XLogP	1.4
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	159

SMILES

CCOC(=O)C1CCCCN1C

InChI

InChI=1S/C9H17NO2/c1-3-12-9(11)8-6-4-5-7-10(8)2/h8H,3-7H2,1-2H3

InChIKey

ZICBNHLULHJETL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 30727-18-5

CID: 566742

Formula: C9H17NO2

MW: 171.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	171.24
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	171.125928785
Monoisotopic Mass	171.125928785
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	159
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
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