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1803608-07-2 | 4-(isoquinolin-5-yl)piperidin-4-ol dihydrochloride
CAS No: 1803608-07-2 Catalog No: AG01BEBM MDL No:MFCD28064045
Product Description
Catalog Number:
AG01BEBM
Chemical Name:
4-(isoquinolin-5-yl)piperidin-4-ol dihydrochloride
CAS Number:
1803608-07-2
Molecular Formula:
C14H18Cl2N2O
Molecular Weight:
301.2115
MDL Number:
MFCD28064045
IUPAC Name:
4-isoquinolin-5-ylpiperidin-4-ol;dihydrochloride
InChI:
InChI=1S/C14H16N2O.2ClH/c17-14(5-8-15-9-6-14)13-3-1-2-11-10-16-7-4-12(11)13;;/h1-4,7,10,15,17H,5-6,8-9H2;2*1H
InChI Key:
MUMWPIOQCNCHNN-UHFFFAOYSA-N
SMILES:
OC1(CCNCC1)c1cccc2c1ccnc2.Cl.Cl
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
301.211g/mol
Monoisotopic Mass:
300.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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