2-[(4-chlorophenyl)(piperidin-4-yloxy)methyl]pyridine; P-nitrobenzoic acid

2-[(4-chlorophenyl)(piperidin-4-yloxy)methyl]pyridine; P-nitrobenzoic acid

CAS: 161558-45-8

Formula: C24H24ClN3O5

SMILES: OC(=O)C1=CC=C(C=C1)[N+]([O-])=O.ClC1=CC=C(C=C1)C(OC1CCNCC1)C1=NC=CC=C1

IUPAC: 2-[(4-chlorophenyl)(piperidin-4-yloxy)methyl]pyridine; 4-nitrobenzoic acid

InChI: InChI=1/C17H19ClN2O.C7H5NO4/c18-14-6-4-13(5-7-14)17(16-3-1-2-10-20-16)21-15-8-11-19-12-9-15;9-7(10)5-1-3-6(4-2-5)8(11)12/h1-7,10,15,17,19H,8-9,11-12H2;1-4H,(H,9,10)

Composition: C (61.34%), H (5.15%), Cl (7.54%), N (8.94%), O (17.02%)

Molar Mass: 469.92

Atom Count: 57

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	469.1404486
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	UQSUJCNJGVBZCU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	84.27
Topological Polar Surface Area	34.15
Polarizability	33.41
Ring Count	4
Rotatable Bond Count	6

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