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4-[1-(tert-butoxycarbonyl)piperidin-4-yl]pyridine-2-carboxylic acid

4-[1-(tert-butoxycarbonyl)piperidin-4-yl]pyridine-2-carboxylic acid

CAS: 1559064-20-8

Formula: C16H22N2O4

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

IUPAC: 4-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}pyridine-2-carboxylic acid

InChI: InChI=1S/C16H22N2O4/c1-16(2,3)22-15(21)18-8-5-11(6-9-18)12-4-7-17-13(10-12)14(19)20/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,19,20)

Composition: C (62.73%), H (7.24%), N (9.14%), O (20.89%)

Molar Mass: 306.362

Atom Count: 44

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 306.157957196
Formal Charge 0
FSP3 0.56
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey YSGQUFXRIPIBMO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.2
Topological Polar Surface Area 79.73
Polarizability 31.39
Ring Count 2
Rotatable Bond Count 4

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