tert-butyl 4-{[(3-fluorophenyl)amino]methyl}piperidine-1-carboxylate

tert-butyl 4-{[(3-fluorophenyl)amino]methyl}piperidine-1-carboxylate

CAS: 887582-27-6

Formula: C17H25FN2O2

SMILES: CC(C)(C)OC(=O)N1CCC(CNC2=CC(F)=CC=C2)CC1

IUPAC: tert-butyl 4-{[(3-fluorophenyl)amino]methyl}piperidine-1-carboxylate

InChI: InChI=1S/C17H25FN2O2/c1-17(2,3)22-16(21)20-9-7-13(8-10-20)12-19-15-6-4-5-14(18)11-15/h4-6,11,13,19H,7-10,12H2,1-3H3

Composition: C (66.21%), H (8.17%), F (6.16%), N (9.08%), O (10.38%)

Molar Mass: 308.397

Atom Count: 47

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	308.190006216
Formal Charge	0
FSP3	0.59
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	WPXISNZZSUAIHM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.44
Topological Polar Surface Area	41.57
Polarizability	32.57
Ring Count	2
Rotatable Bond Count	5

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95%	<5 Days	887582-27-6		$2,200.00-$3,960.00$2,200.00$3,080.00$3,960.00