tert-butyl 4-{[(4-fluorophenyl)sulfanyl]methyl}piperidine-1-carboxylate

tert-butyl 4-{[(4-fluorophenyl)sulfanyl]methyl}piperidine-1-carboxylate

Formula: C17H24FNO2S

SMILES: CC(C)(C)OC(=O)N1CCC(CSC2=CC=C(F)C=C2)CC1

IUPAC: tert-butyl 4-{[(4-fluorophenyl)sulfanyl]methyl}piperidine-1-carboxylate

InChI: InChI=1S/C17H24FNO2S/c1-17(2,3)21-16(20)19-10-8-13(9-11-19)12-22-15-6-4-14(18)5-7-15/h4-7,13H,8-12H2,1-3H3

Composition: C (62.74%), H (7.43%), F (5.84%), N (4.30%), O (9.83%), S (9.85%)

Molar Mass: 325.44

Atom Count: 46

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	325.151178354
Formal Charge	0
FSP3	0.59
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	QFYJRBRFABVTTI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.05
Topological Polar Surface Area	29.54
Polarizability	34.46
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C17H24FNO2S		Quote Only