tert-butyl 4-({[2-(2-bromophenyl)ethyl]amino}methyl)piperidine-1-carboxylate

tert-butyl 4-({[2-(2-bromophenyl)ethyl]amino}methyl)piperidine-1-carboxylate

CAS: 887581-97-7

Formula: C19H29BrN2O2

SMILES: CC(C)(C)OC(=O)N1CCC(CNCCC2=C(Br)C=CC=C2)CC1

IUPAC: tert-butyl 4-({[2-(2-bromophenyl)ethyl]amino}methyl)piperidine-1-carboxylate

InChI: InChI=1S/C19H29BrN2O2/c1-19(2,3)24-18(23)22-12-9-15(10-13-22)14-21-11-8-16-6-4-5-7-17(16)20/h4-7,15,21H,8-14H2,1-3H3

Composition: C (57.43%), H (7.36%), Br (20.11%), N (7.05%), O (8.05%)

Molar Mass: 397.357

Atom Count: 53

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	396.141241
Formal Charge	0
FSP3	0.63
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	YKVZTAJDBNJJAP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	101.65
Topological Polar Surface Area	41.57
Polarizability	39.6
Ring Count	2
Rotatable Bond Count	7

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	887581-97-7		$2,200.00-$3,960.00$2,200.00$3,080.00$3,960.00