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124257-62-1 | 3-Piperidinemethanamine, 1-(phenylmethyl)-
CAS No: 124257-62-1 Catalog No: AG000LRR MDL No:MFCD05668290
Product Description
Catalog Number:
AG000LRR
Chemical Name:
3-Piperidinemethanamine, 1-(phenylmethyl)-
CAS Number:
124257-62-1
Molecular Formula:
C13H20N2
Molecular Weight:
204.3113
MDL Number:
MFCD05668290
IUPAC Name:
(1-benzylpiperidin-3-yl)methanamine
InChI:
InChI=1S/C13H20N2/c14-9-13-7-4-8-15(11-13)10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11,14H2
InChI Key:
BYNIUBOJBWXZCC-UHFFFAOYSA-N
SMILES:
NCC1CCCN(C1)Cc1ccccc1
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.163g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.317g/mol
Monoisotopic Mass:
204.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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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