tert-butyl 3-({[(2-fluorophenyl)methyl]amino}methyl)piperidine-1-carboxylate

tert-butyl 3-({[(2-fluorophenyl)methyl]amino}methyl)piperidine-1-carboxylate

CAS: 887587-48-6

Formula: C18H27FN2O2

SMILES: CC(C)(C)OC(=O)N1CCCC(CNCC2=C(F)C=CC=C2)C1

IUPAC: tert-butyl 3-({[(2-fluorophenyl)methyl]amino}methyl)piperidine-1-carboxylate

InChI: InChI=1/C18H27FN2O2/c1-18(2,3)23-17(22)21-10-6-7-14(13-21)11-20-12-15-8-4-5-9-16(15)19/h4-5,8-9,14,20H,6-7,10-13H2,1-3H3

Composition: C (67.05%), H (8.44%), F (5.89%), N (8.69%), O (9.92%)

Molar Mass: 322.424

Atom Count: 50

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	322.20565628
Formal Charge	0
FSP3	0.61
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	WSHIXPRCKVXCHM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.39
Topological Polar Surface Area	41.57
Polarizability	34.78
Ring Count	2
Rotatable Bond Count	6

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