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Home > Indoles and Oxindole > 1172830-18-0
1172830-18-0 | 1H-Indole, 5-methyl-3-(4-piperidinyl)-, hydrochloride (1:1)
CAS No: 1172830-18-0 Catalog No: AG000E1K MDL No:MFCD08690167
Product Description
Catalog Number:
AG000E1K
Chemical Name:
1H-Indole, 5-methyl-3-(4-piperidinyl)-, hydrochloride (1:1)
CAS Number:
1172830-18-0
Molecular Formula:
C14H19ClN2
Molecular Weight:
250.7671
MDL Number:
MFCD08690167
IUPAC Name:
5-methyl-3-piperidin-4-yl-1H-indole;hydrochloride
InChI:
InChI=1S/C14H18N2.ClH/c1-10-2-3-14-12(8-10)13(9-16-14)11-4-6-15-7-5-11;/h2-3,8-9,11,15-16H,4-7H2,1H3;1H
InChI Key:
KEUNWPWLUAEIPN-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(c[nH]2)C1CCNCC1.Cl
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.124g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
250.77g/mol
Monoisotopic Mass:
250.124g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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