tert-butyl 4-(1,3-benzothiazol-2-yl)piperidine-1-carboxylate

tert-butyl 4-(1,3-benzothiazol-2-yl)piperidine-1-carboxylate

CAS: 1373879-28-7

Formula: C17H22N2O2S

SMILES: CC(C)(C)OC(=O)N1CCC(CC1)C1=NC2=CC=CC=C2S1

IUPAC: tert-butyl 4-(1,3-benzothiazol-2-yl)piperidine-1-carboxylate

InChI: InChI=1S/C17H22N2O2S/c1-17(2,3)21-16(20)19-10-8-12(9-11-19)15-18-13-6-4-5-7-14(13)22-15/h4-7,12H,8-11H2,1-3H3

Composition: C (64.12%), H (6.96%), N (8.80%), O (10.05%), S (10.07%)

Molar Mass: 318.44

Atom Count: 44

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	318.14019913
Formal Charge	0
FSP3	0.53
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	RTBLGLFTLCLKRV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	87
Topological Polar Surface Area	42.43
Polarizability	35.21
Ring Count	3
Rotatable Bond Count	3

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