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120848-56-8 | Isoquinoline, 1,2,3,4-tetrahydro-2-(4-piperidinylmethyl)-
CAS No: 120848-56-8 Catalog No: AG007PDH MDL No:MFCD00880881
Product Description
Catalog Number:
AG007PDH
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-2-(4-piperidinylmethyl)-
CAS Number:
120848-56-8
Molecular Formula:
C15H22N2
Molecular Weight:
230.3486
MDL Number:
MFCD00880881
IUPAC Name:
2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C15H22N2/c1-2-4-15-12-17(10-7-14(15)3-1)11-13-5-8-16-9-6-13/h1-4,13,16H,5-12H2
InChI Key:
GUFTZAHBWSLXTM-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)CN1CCc2c(C1)cccc2
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.178g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.355g/mol
Monoisotopic Mass:
230.178g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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