1-{1-[(3-fluorophenyl)methyl]piperidin-4-yl}methanamine

1-{1-[(3-fluorophenyl)methyl]piperidin-4-yl}methanamine

CAS: 893755-07-2

Formula: C13H19FN2

SMILES: NCC1CCN(CC2=CC(F)=CC=C2)CC1

IUPAC: 1-{1-[(3-fluorophenyl)methyl]piperidin-4-yl}methanamine

InChI: InChI=1S/C13H19FN2/c14-13-3-1-2-12(8-13)10-16-6-4-11(9-15)5-7-16/h1-3,8,11H,4-7,9-10,15H2

Composition: C (70.24%), H (8.62%), F (8.55%), N (12.60%)

Molar Mass: 222.307

Atom Count: 35

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	222.153226783
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	UMRYEROXGGYCBP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.02
Topological Polar Surface Area	29.26
Polarizability	25.19
Ring Count	2
Rotatable Bond Count	3

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