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72807-18-2 | 4-Piperidinamine,1-(1H-indol-3-ylmethyl)-
CAS No: 72807-18-2 Catalog No: AG005EM3 MDL No:MFCD12025412
Product Description
Catalog Number:
AG005EM3
Chemical Name:
4-Piperidinamine,1-(1H-indol-3-ylmethyl)-
CAS Number:
72807-18-2
Molecular Formula:
C14H19N3
Molecular Weight:
229.3208
MDL Number:
MFCD12025412
IUPAC Name:
1-(1H-indol-3-ylmethyl)piperidin-4-amine
InChI:
InChI=1S/C14H19N3/c15-12-5-7-17(8-6-12)10-11-9-16-14-4-2-1-3-13(11)14/h1-4,9,12,16H,5-8,10,15H2
InChI Key:
VKEURNDOWDDXJE-UHFFFAOYSA-N
SMILES:
NC1CCN(CC1)Cc1c[nH]c2c1cccc2
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.158g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.327g/mol
Monoisotopic Mass:
229.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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