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774531-43-0 | 1-(Pyridin-4-ylmethyl)piperidine-4-carboxylic acid
CAS No: 774531-43-0 Catalog No: AG005LLB MDL No:MFCD03645526
Product Description
Catalog Number:
AG005LLB
Chemical Name:
1-(Pyridin-4-ylmethyl)piperidine-4-carboxylic acid
CAS Number:
774531-43-0
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD03645526
IUPAC Name:
1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid
InChI:
InChI=1S/C12H16N2O2/c15-12(16)11-3-7-14(8-4-11)9-10-1-5-13-6-2-10/h1-2,5-6,11H,3-4,7-9H2,(H,15,16)
InChI Key:
FQQLUUHEXSHYTO-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(CC1)Cc1ccncc1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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