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

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

CAS: 887581-81-9

Formula: C18H27BrN2O2

SMILES: CC(C)(C)OC(=O)N1CCC(CNCC2=CC(Br)=CC=C2)CC1

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

InChI: InChI=1S/C18H27BrN2O2/c1-18(2,3)23-17(22)21-9-7-14(8-10-21)12-20-13-15-5-4-6-16(19)11-15/h4-6,11,14,20H,7-10,12-13H2,1-3H3

Composition: C (56.40%), H (7.10%), Br (20.84%), N (7.31%), O (8.35%)

Molar Mass: 383.33

Atom Count: 50

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	382.125591
Formal Charge	0
FSP3	0.61
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	FHBZNOLHSXVEAJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.9
Topological Polar Surface Area	41.57
Polarizability	37.84
Ring Count	2
Rotatable Bond Count	6

Suppliers

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	887581-81-9		$2,200.00-$3,960.00$2,200.00$3,080.00$3,960.00