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4-benzyl-1-(tert-butoxycarbonyl)piperidine-4-carboxylic acid

4-benzyl-1-(tert-butoxycarbonyl)piperidine-4-carboxylic acid

CAS: 167263-11-8

Formula: C18H25NO4

SMILES: CC(C)(C)OC(=O)N1CCC(CC2=CC=CC=C2)(CC1)C(O)=O

IUPAC: 4-benzyl-1-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid

InChI: InChI=1S/C18H25NO4/c1-17(2,3)23-16(22)19-11-9-18(10-12-19,15(20)21)13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,20,21)

Composition: C (67.69%), H (7.89%), N (4.39%), O (20.04%)

Molar Mass: 319.401

Atom Count: 48

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 319.178358289
Formal Charge 0
FSP3 0.56
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey APIIIPKQPKSIHU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 87.27
Topological Polar Surface Area 66.84
Polarizability 34.12
Ring Count 2
Rotatable Bond Count 5

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