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

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

CAS: 887582-66-3

Formula: C18H25F3N2O2

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

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

InChI: InChI=1S/C18H25F3N2O2/c1-17(2,3)25-16(24)23-9-7-13(8-10-23)12-22-15-6-4-5-14(11-15)18(19,20)21/h4-6,11,13,22H,7-10,12H2,1-3H3

Composition: C (60.32%), H (7.03%), F (15.90%), N (7.82%), O (8.93%)

Molar Mass: 358.405

Atom Count: 50

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	358.186812542
Formal Charge	0
FSP3	0.61
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	OYCJYFCBQCJNKK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.2
Topological Polar Surface Area	41.57
Polarizability	33.97
Ring Count	2
Rotatable Bond Count	6

Suppliers

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	887582-66-3		$2,200.00-$3,960.00$2,200.00$3,080.00$3,960.00