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130209-07-3 | Isoquinoline, 1,2,3,4-tetrahydro-1-(1-piperidinylmethyl)-
CAS No: 130209-07-3 Catalog No: AG000U5A MDL No:
Product Description
Catalog Number:
AG000U5A
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-1-(1-piperidinylmethyl)-
CAS Number:
130209-07-3
Molecular Formula:
C15H22N2
Molecular Weight:
230.3486
IUPAC Name:
1-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C15H22N2/c1-4-10-17(11-5-1)12-15-14-7-3-2-6-13(14)8-9-16-15/h2-3,6-7,15-16H,1,4-5,8-12H2
InChI Key:
MWFDWWMMOCTHRI-UHFFFAOYSA-N
SMILES:
C1CCN(CC1)CC1NCCc2c1cccc2
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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