Home Other Building Blocks methyl 4-(piperidin-2-yl)benzoate

methyl 4-(piperidin-2-yl)benzoate

CAS No.:
863869-85-6
Catalog Number:
AG01DK6L
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
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Product Description
Catalog Number:
AG01DK6L
Chemical Name:
methyl 4-(piperidin-2-yl)benzoate
CAS Number:
863869-85-6
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
MDL Number:
MFCD18701932
IUPAC Name:
methyl 4-piperidin-2-ylbenzoate
InChI:
InChI=1S/C13H17NO2/c1-16-13(15)11-7-5-10(6-8-11)12-4-2-3-9-14-12/h5-8,12,14H,2-4,9H2,1H3
InChI Key:
MCVNPUNNHRUTMY-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C1CCCCN1
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties