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tert-butyl 3-propanoylpiperidine-1-carboxylate

tert-butyl 3-propanoylpiperidine-1-carboxylate

CAS: 1226294-61-6

Formula: C13H23NO3

SMILES: CCC(=O)C1CCCN(C1)C(=O)OC(C)(C)C

IUPAC: tert-butyl 3-propanoylpiperidine-1-carboxylate

InChI: InChI=1/C13H23NO3/c1-5-11(15)10-7-6-8-14(9-10)12(16)17-13(2,3)4/h10H,5-9H2,1-4H3

Composition: C (64.70%), H (9.61%), N (5.80%), O (19.89%)

Molar Mass: 241.331

Atom Count: 40

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 241.167793605
Formal Charge 0
FSP3 0.85
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey SDXDPFJADRSXOW-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.09
Topological Polar Surface Area 46.61
Polarizability 25.93
Ring Count 1
Rotatable Bond Count 4

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