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414881-63-3 | 1-(1H-Indol-3-ylmethyl)-4-piperidinol
CAS No: 414881-63-3 Catalog No: AG0071WK MDL No:
Product Description
Catalog Number:
AG0071WK
Chemical Name:
1-(1H-Indol-3-ylmethyl)-4-piperidinol
CAS Number:
414881-63-3
Molecular Formula:
C14H18N2O
Molecular Weight:
230.3055
IUPAC Name:
1-(1H-indol-3-ylmethyl)piperidin-4-ol
InChI:
InChI=1S/C14H18N2O/c17-12-5-7-16(8-6-12)10-11-9-15-14-4-2-1-3-13(11)14/h1-4,9,12,15,17H,5-8,10H2
InChI Key:
YBLNYFAICXHYQV-UHFFFAOYSA-N
SMILES:
OC1CCN(CC1)Cc1c[nH]c2c1cccc2
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.311g/mol
Monoisotopic Mass:
230.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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