1-(tert-butoxycarbonyl)-3-{[4-(trifluoromethyl)phenyl]methyl}piperidine-3-carboxylic acid

1-(tert-butoxycarbonyl)-3-{[4-(trifluoromethyl)phenyl]methyl}piperidine-3-carboxylic acid

CAS: 887344-24-3

Formula: C19H24F3NO4

SMILES: CC(C)(C)OC(=O)N1CCCC(CC2=CC=C(C=C2)C(F)(F)F)(C1)C(O)=O

IUPAC: 1-[(tert-butoxy)carbonyl]-3-{[4-(trifluoromethyl)phenyl]methyl}piperidine-3-carboxylic acid

InChI: InChI=1/C19H24F3NO4/c1-17(2,3)27-16(26)23-10-4-9-18(12-23,15(24)25)11-13-5-7-14(8-6-13)19(20,21)22/h5-8H,4,9-12H2,1-3H3,(H,24,25)

Composition: C (58.91%), H (6.24%), F (14.71%), N (3.62%), O (16.52%)

Molar Mass: 387.399

Atom Count: 51

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	387.165742746
Formal Charge	0
FSP3	0.58
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	NHVRTFVRWPMHRT-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	93.09
Topological Polar Surface Area	66.84
Polarizability	35.29
Ring Count	2
Rotatable Bond Count	6

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