Home Other Building Blocks METHYL4-(PIPERIDIN-3-YL)BENZOATE

METHYL4-(PIPERIDIN-3-YL)BENZOATE

CAS No.:
927801-30-7
Catalog Number:
AG01E65O
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
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Product Description
Catalog Number:
AG01E65O
Chemical Name:
METHYL4-(PIPERIDIN-3-YL)BENZOATE
CAS Number:
927801-30-7
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
MDL Number:
MFCD09055085
IUPAC Name:
methyl 4-piperidin-3-ylbenzoate
InChI:
InChI=1S/C13H17NO2/c1-16-13(15)11-6-4-10(5-7-11)12-3-2-8-14-9-12/h4-7,12,14H,2-3,8-9H2,1H3
InChI Key:
SHHWLICMWCGOCF-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C1CCCNC1
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:
1.9  
Properties