tert-butyl 4-cyano-4-(hydroxymethyl)piperidine-1-carboxylate

tert-butyl 4-cyano-4-(hydroxymethyl)piperidine-1-carboxylate

CAS: 614730-96-0

Formula: C12H20N2O3

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

IUPAC: tert-butyl 4-cyano-4-(hydroxymethyl)piperidine-1-carboxylate

InChI: InChI=1S/C12H20N2O3/c1-11(2,3)17-10(16)14-6-4-12(8-13,9-15)5-7-14/h15H,4-7,9H2,1-3H3

Composition: C (59.98%), H (8.39%), N (11.66%), O (19.97%)

Molar Mass: 240.303

Atom Count: 37

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	240.147392512
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BLZNRLWYSXQYLO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.33
Topological Polar Surface Area	73.56
Polarizability	24.52
Ring Count	1
Rotatable Bond Count	3

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