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100957-76-4 | 4-Piperidinecarboxylic acid, 1-(1H-indol-3-ylmethyl)-
CAS No: 100957-76-4 Catalog No: AG0003AS MDL No:MFCD06739714
Product Description
Catalog Number:
AG0003AS
Chemical Name:
4-Piperidinecarboxylic acid, 1-(1H-indol-3-ylmethyl)-
CAS Number:
100957-76-4
Molecular Formula:
C15H18N2O2
Molecular Weight:
258.3156
MDL Number:
MFCD06739714
IUPAC Name:
1-(1H-indol-3-ylmethyl)piperidine-4-carboxylic acid
InChI:
InChI=1S/C15H18N2O2/c18-15(19)11-5-7-17(8-6-11)10-12-9-16-14-4-2-1-3-13(12)14/h1-4,9,11,16H,5-8,10H2,(H,18,19)
InChI Key:
QNHYWDRTEHWTAR-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(CC1)Cc1c[nH]c2c1cccc2
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.137g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.321g/mol
Monoisotopic Mass:
258.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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