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886503-85-1 | 1-(4-Piperidylmethyl)-1,2,3,4-tetrahydro-isoquinoline
CAS No: 886503-85-1 Catalog No: AG01EYFI MDL No:MFCD04113821
Product Description
Catalog Number:
AG01EYFI
Chemical Name:
1-(4-Piperidylmethyl)-1,2,3,4-tetrahydro-isoquinoline
CAS Number:
886503-85-1
Molecular Formula:
C15H22N2
Molecular Weight:
230.3486
MDL Number:
MFCD04113821
IUPAC Name:
1-(piperidin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C15H22N2/c1-2-4-14-13(3-1)7-10-17-15(14)11-12-5-8-16-9-6-12/h1-4,12,15-17H,5-11H2
InChI Key:
IZWALCQMIJVJEF-UHFFFAOYSA-N
SMILES:
N1CCC(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:
2
Isotope Atom Count:
0
Molecular Weight:
230.355g/mol
Monoisotopic Mass:
230.178g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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