tert-butyl 4-[(5-chloropyridin-2-yl)methyl]piperazine-1-carboxylate

tert-butyl 4-[(5-chloropyridin-2-yl)methyl]piperazine-1-carboxylate

CAS: 2204040-43-5

Formula: C15H22ClN3O2

SMILES: CC(C)(C)OC(=O)N1CCN(CC2=NC=C(Cl)C=C2)CC1

IUPAC: tert-butyl 4-[(5-chloropyridin-2-yl)methyl]piperazine-1-carboxylate

InChI: InChI=1S/C15H22ClN3O2/c1-15(2,3)21-14(20)19-8-6-18(7-9-19)11-13-5-4-12(16)10-17-13/h4-5,10H,6-9,11H2,1-3H3

Composition: C (57.78%), H (7.11%), Cl (11.37%), N (13.48%), O (10.26%)

Molar Mass: 311.81

Atom Count: 43

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	311.1400547
Formal Charge	0
FSP3	0.6
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	YNQYFEHGKDBSOZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.48
Topological Polar Surface Area	45.67
Polarizability	32.44
Ring Count	2
Rotatable Bond Count	4

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