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6972-93-6 | 1(2H)-Quinolineethanol, 3,4-dihydro-a-[(3-methyl-1-piperidinyl)methyl]-
CAS No: 6972-93-6 Catalog No: AG00681E MDL No:
Product Description
Catalog Number:
AG00681E
Chemical Name:
1(2H)-Quinolineethanol, 3,4-dihydro-a-[(3-methyl-1-piperidinyl)methyl]-
CAS Number:
6972-93-6
Molecular Formula:
C18H28N2O
Molecular Weight:
288.4277
IUPAC Name:
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3-methylpiperidin-1-yl)propan-2-ol
InChI:
InChI=1S/C18H28N2O/c1-15-6-4-10-19(12-15)13-17(21)14-20-11-5-8-16-7-2-3-9-18(16)20/h2-3,7,9,15,17,21H,4-6,8,10-14H2,1H3
InChI Key:
VOGJJIQUEMRFQF-UHFFFAOYSA-N
SMILES:
OC(CN1CCCc2c1cccc2)CN1CCCC(C1)C
NSC Number:
62378
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.22g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.435g/mol
Monoisotopic Mass:
288.22g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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