Home Other Building Blocks 3-(1-methylpiperidin-3-yl)benzoic acid hydrochloride

3-(1-methylpiperidin-3-yl)benzoic acid hydrochloride

CAS No.:
1909325-65-0
Catalog Number:
AG01C436
Molecular Formula:
C13H18ClNO2
Molecular Weight:
255.7405
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Product Description
Catalog Number:
AG01C436
Chemical Name:
3-(1-methylpiperidin-3-yl)benzoic acid hydrochloride
CAS Number:
1909325-65-0
Molecular Formula:
C13H18ClNO2
Molecular Weight:
255.7405
MDL Number:
MFCD29762990
IUPAC Name:
3-(1-methylpiperidin-3-yl)benzoic acid;hydrochloride
InChI:
InChI=1S/C13H17NO2.ClH/c1-14-7-3-6-12(9-14)10-4-2-5-11(8-10)13(15)16;/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,15,16);1H
InChI Key:
PQOVHZPJZHPMHF-UHFFFAOYSA-N
SMILES:
CN1CCCC(C1)c1cccc(c1)C(=O)O.Cl
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.103g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
255.742g/mol
Monoisotopic Mass:
255.103g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties