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887588-63-8 | 4-Piperidinol,1-[[3-(aminomethyl)phenyl]methyl]-
CAS No: 887588-63-8 Catalog No: AG004BLG MDL No:
Product Description
Catalog Number:
AG004BLG
Chemical Name:
4-Piperidinol,1-[[3-(aminomethyl)phenyl]methyl]-
CAS Number:
887588-63-8
Molecular Formula:
C13H20N2O
Molecular Weight:
220.3107
IUPAC Name:
1-[[3-(aminomethyl)phenyl]methyl]piperidin-4-ol
InChI:
InChI=1S/C13H20N2O/c14-9-11-2-1-3-12(8-11)10-15-6-4-13(16)5-7-15/h1-3,8,13,16H,4-7,9-10,14H2
InChI Key:
FZBAJTZKEDTSPJ-UHFFFAOYSA-N
SMILES:
NCc1cccc(c1)CN1CCC(CC1)O
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.158g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.316g/mol
Monoisotopic Mass:
220.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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