Home Carboxys methyl 1-(prop-2-yn-1-yl)piperidine-4-carboxylate

methyl 1-(prop-2-yn-1-yl)piperidine-4-carboxylate

CAS No.:
1075221-06-5
Catalog Number:
AG01AFRX
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
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Product Description
Catalog Number:
AG01AFRX
Chemical Name:
methyl 1-(prop-2-yn-1-yl)piperidine-4-carboxylate
CAS Number:
1075221-06-5
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
MDL Number:
MFCD14631441
IUPAC Name:
methyl 1-prop-2-ynylpiperidine-4-carboxylate
InChI:
InChI=1S/C10H15NO2/c1-3-6-11-7-4-9(5-8-11)10(12)13-2/h1,9H,4-8H2,2H3
InChI Key:
AOBHXSNCRGTQOH-UHFFFAOYSA-N
SMILES:
C#CCN1CCC(CC1)C(=O)OC
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.11g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties