Home Carboxys tert-butyl 3-(prop-2-yn-1-yloxy)piperidine-1-carboxylate

tert-butyl 3-(prop-2-yn-1-yloxy)piperidine-1-carboxylate

CAS No.:
1219828-03-1
Catalog Number:
AG01AQR2
Molecular Formula:
C13H21NO3
Molecular Weight:
239.3107
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Product Description
Catalog Number:
AG01AQR2
Chemical Name:
tert-butyl 3-(prop-2-yn-1-yloxy)piperidine-1-carboxylate
CAS Number:
1219828-03-1
Molecular Formula:
C13H21NO3
Molecular Weight:
239.3107
MDL Number:
MFCD16653311
IUPAC Name:
tert-butyl 3-prop-2-ynoxypiperidine-1-carboxylate
InChI:
InChI=1S/C13H21NO3/c1-5-9-16-11-7-6-8-14(10-11)12(15)17-13(2,3)4/h1,11H,6-10H2,2-4H3
InChI Key:
IPRABSBORMZJRX-UHFFFAOYSA-N
SMILES:
C#CCOC1CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.152g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.315g/mol
Monoisotopic Mass:
239.152g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties