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156600-98-5 | 1H-Indole-7-carboxylic acid, (1-butyl-4-piperidinyl)Methyl ester
CAS No: 156600-98-5 Catalog No: AG001OUO MDL No:
Product Description
Catalog Number:
AG001OUO
Chemical Name:
1H-Indole-7-carboxylic acid, (1-butyl-4-piperidinyl)Methyl ester
CAS Number:
156600-98-5
Molecular Formula:
C19H26N2O2
Molecular Weight:
314.4219
IUPAC Name:
(1-butylpiperidin-4-yl)methyl 1H-indole-7-carboxylate
InChI:
InChI=1S/C19H26N2O2/c1-2-3-11-21-12-8-15(9-13-21)14-23-19(22)17-6-4-5-16-7-10-20-18(16)17/h4-7,10,15,20H,2-3,8-9,11-14H2,1H3
InChI Key:
NQMDYRXSHPAJKM-UHFFFAOYSA-N
SMILES:
CCCCN1CCC(CC1)COC(=O)c1cccc2c1[nH]cc2
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.199g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.429g/mol
Monoisotopic Mass:
314.199g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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