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1353996-58-3 | 2-((S)-1-Benzyl-piperidin-3-ylamino)-ethanol
CAS No: 1353996-58-3 Catalog No: AG01FAN5 MDL No:
Product Description
Catalog Number:
AG01FAN5
Chemical Name:
2-((S)-1-Benzyl-piperidin-3-ylamino)-ethanol
CAS Number:
1353996-58-3
Molecular Formula:
C14H22N2O
Molecular Weight:
234.3373
IUPAC Name:
2-[[(3S)-1-benzylpiperidin-3-yl]amino]ethanol
InChI:
InChI=1S/C14H22N2O/c17-10-8-15-14-7-4-9-16(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,14-15,17H,4,7-12H2/t14-/m0/s1
InChI Key:
LFAKEOCEKASBCZ-AWEZNQCLSA-N
SMILES:
OCCN[C@H]1CCCN(C1)Cc1ccccc1
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
234.173g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.343g/mol
Monoisotopic Mass:
234.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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