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tert-butyl 4-ethynyl-4-methylpiperidine-1-carboxylate

tert-butyl 4-ethynyl-4-methylpiperidine-1-carboxylate

CAS: 1363383-17-8

Formula: C13H21NO2

SMILES: CC(C)(C)OC(=O)N1CCC(C)(CC1)C#C

IUPAC: tert-butyl 4-ethynyl-4-methylpiperidine-1-carboxylate

InChI: InChI=1S/C13H21NO2/c1-6-13(5)7-9-14(10-8-13)11(15)16-12(2,3)4/h1H,7-10H2,2-5H3

Composition: C (69.92%), H (9.48%), N (6.27%), O (14.33%)

Molar Mass: 223.316

Atom Count: 37

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 223.15722892
Formal Charge 0
FSP3 0.77
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey KVSMRAKIKMZNAH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.92
Topological Polar Surface Area 29.54
Polarizability 24.75
Ring Count 1
Rotatable Bond Count 2

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