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1256807-40-5 | 5-(piperidin-4-yl)isoquinoline
CAS No: 1256807-40-5 Catalog No: AG01BDWX MDL No:MFCD17227442
Product Description
Catalog Number:
AG01BDWX
Chemical Name:
5-(piperidin-4-yl)isoquinoline
CAS Number:
1256807-40-5
Molecular Formula:
C14H16N2
Molecular Weight:
212.2902
MDL Number:
MFCD17227442
IUPAC Name:
5-piperidin-4-ylisoquinoline
InChI:
InChI=1S/C14H16N2/c1-2-12-10-16-9-6-14(12)13(3-1)11-4-7-15-8-5-11/h1-3,6,9-11,15H,4-5,7-8H2
InChI Key:
RWKZEWOPMRXZBH-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)c1cccc2c1ccnc2
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.296g/mol
Monoisotopic Mass:
212.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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