tert-butyl (3S)-3-bromopiperidine-1-carboxylate

tert-butyl (3S)-3-bromopiperidine-1-carboxylate

CAS: 1354017-20-1

Formula: C10H18BrNO2

SMILES: CC(C)(C)OC(=O)N1CCC[C@H](Br)C1

IUPAC: tert-butyl (3S)-3-bromopiperidine-1-carboxylate

InChI: InChI=1S/C10H18BrNO2/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h8H,4-7H2,1-3H3/t8-/m1/s1

Composition: C (45.47%), H (6.87%), Br (30.25%), N (5.30%), O (12.11%)

Molar Mass: 264.163

Atom Count: 32

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	263.052092
Formal Charge	0
FSP3	0.9
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	YCUDHDNCZHPAJK-QMMMGPOBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.23
Topological Polar Surface Area	29.54
Polarizability	23.11
Ring Count	1
Rotatable Bond Count	2

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