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86871-46-7 | Piperidine,1-[3-[[5-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy]propyl]-
CAS No: 86871-46-7 Catalog No: AG004ICK MDL No:
Product Description
Catalog Number:
AG004ICK
Chemical Name:
Piperidine,1-[3-[[5-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy]propyl]-
CAS Number:
86871-46-7
Molecular Formula:
C17H22ClN3O
Molecular Weight:
319.8291
IUPAC Name:
1-[3-[[5-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy]propyl]piperidine
InChI:
InChI=1S/C17H22ClN3O/c18-15-7-5-14(6-8-15)16-13-17(20-19-16)22-12-4-11-21-9-2-1-3-10-21/h5-8,13H,1-4,9-12H2,(H,19,20)
InChI Key:
IJKMZKAORXPIKH-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1[nH]nc(c1)OCCCN1CCCCC1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.145g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.833g/mol
Monoisotopic Mass:
319.145g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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