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1219948-64-7 | 3-Pyridinecarboxylic acid, 4-piperidinyl ester, hydrochloride (1:1)
CAS No: 1219948-64-7 Catalog No: AG0016IO MDL No:MFCD13559853
Product Description
Catalog Number:
AG0016IO
Chemical Name:
3-Pyridinecarboxylic acid, 4-piperidinyl ester, hydrochloride (1:1)
CAS Number:
1219948-64-7
Molecular Formula:
C11H15ClN2O2
Molecular Weight:
242.7020
MDL Number:
MFCD13559853
IUPAC Name:
piperidin-4-yl pyridine-3-carboxylate;hydrochloride
InChI:
InChI=1S/C11H14N2O2.ClH/c14-11(9-2-1-5-13-8-9)15-10-3-6-12-7-4-10;/h1-2,5,8,10,12H,3-4,6-7H2;1H
InChI Key:
KVNOMYVDJADGIL-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1)OC1CCNCC1.Cl
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.082g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.703g/mol
Monoisotopic Mass:
242.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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