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1353963-03-7 | 2-[3-(Benzyl-isopropyl-amino)-piperidin-1-yl]-ethanol
CAS No: 1353963-03-7 Catalog No: AG01F893 MDL No:
Product Description
Catalog Number:
AG01F893
Chemical Name:
2-[3-(Benzyl-isopropyl-amino)-piperidin-1-yl]-ethanol
CAS Number:
1353963-03-7
Molecular Formula:
C17H28N2O
Molecular Weight:
276.4170
IUPAC Name:
2-[3-[benzyl(propan-2-yl)amino]piperidin-1-yl]ethanol
InChI:
InChI=1S/C17H28N2O/c1-15(2)19(13-16-7-4-3-5-8-16)17-9-6-10-18(14-17)11-12-20/h3-5,7-8,15,17,20H,6,9-14H2,1-2H3
InChI Key:
WCGALKBOUZMJNF-UHFFFAOYSA-N
SMILES:
OCCN1CCCC(C1)N(C(C)C)Cc1ccccc1
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.22g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.424g/mol
Monoisotopic Mass:
276.22g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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