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

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

CAS: 846605-66-1

Formula: C17H25BrN2O2

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

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

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

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	FIMXQBKKMLARJD-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

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