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

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

CAS: 359877-98-8

Formula: C17H25BrN2O2

SMILES: CC(C)(C)OC(=O)N1CCC(CC1)NCC1=CC(Br)=CC=C1

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

InChI: InChI=1S/C17H25BrN2O2/c1-17(2,3)22-16(21)20-9-7-15(8-10-20)19-12-13-5-4-6-14(18)11-13/h4-6,11,15,19H,7-10,12H2,1-3H3

Composition: C (55.29%), H (6.82%), Br (21.64%), N (7.59%), O (8.66%)

Molar Mass: 369.303

Atom Count: 47

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	368.109941
Formal Charge	0
FSP3	0.59
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	VUVQLTINLBNMJM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.08
Topological Polar Surface Area	41.57
Polarizability	36.01
Ring Count	2
Rotatable Bond Count	5

Suppliers

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	359877-98-8		$978.00-$3,960.00$978.00$2,200.00$3,960.00