tert-butyl (3R,4R)-4-fluoro-3-(6-fluoro-1H-indol-3-yl)piperidine-1-carboxylate

C18H22F2N2O2 — CID 10854333

IUPACtert-butyl (3R,4R)-4-fluoro-3-(6-fluoro-1H-indol-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](F)[C@H](c2c[nH]c3cc(F)ccc23)C1
InChIInChI=1S/C18H22F2N2O2/c1-18(2,3)24-17(23)22-7-6-15(20)14(10-22)13-9-21-16-8-11(19)4-5-12(13)16/h4-5,8-9,14-15,21H,6-7,10H2,1-3H3/t14-,15+/m0/s1
InChIKeyUUIXMUXHWFVZIJ-LSDHHAIUSA-N
MW336.38 g/mol
LogP4.37
Rot. Bonds1

About tert-butyl (3R,4R)-4-fluoro-3-(6-fluoro-1H-indol-3-yl)piperidine-1-carboxylate

tert-butyl (3R,4R)-4-fluoro-3-(6-fluoro-1H-indol-3-yl)piperidine-1-carboxylate (PubChem CID 10854333) has the molecular formula C18H22F2N2O2 and a molecular weight of 336.38 g/mol. Its IUPAC name is tert-butyl (3R,4R)-4-fluoro-3-(6-fluoro-1H-indol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-4-fluoro-3-(6-fluoro-1H-indol-3-yl)piperidine-1-carboxylate
PubChem CID10854333
Molecular FormulaC18H22F2N2O2
Molecular Weight336.38 g/mol
Exact Mass336.16
IUPAC Nametert-butyl (3R,4R)-4-fluoro-3-(6-fluoro-1H-indol-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](F)[C@H](c2c[nH]c3cc(F)ccc23)C1
InChIInChI=1S/C18H22F2N2O2/c1-18(2,3)24-17(23)22-7-6-15(20)14(10-22)13-9-21-16-8-11(19)4-5-12(13)16/h4-5,8-9,14-15,21H,6-7,10H2,1-3H3/t14-,15+/m0/s1
InChIKeyUUIXMUXHWFVZIJ-LSDHHAIUSA-N
XLogP4.37
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-4-fluoro-3-(6-fluoro-1H-indol-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-4-fluoro-3-(6-fluoro-1H-indol-3-yl)piperidine-1-carboxylate (CID 10854333) is tert-butyl (3R,4R)-4-fluoro-3-(6-fluoro-1H-indol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-4-fluoro-3-(6-fluoro-1H-indol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-4-fluoro-3-(6-fluoro-1H-indol-3-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](F)[C@H](c2c[nH]c3cc(F)ccc23)C1.
What is the InChIKey of tert-butyl (3R,4R)-4-fluoro-3-(6-fluoro-1H-indol-3-yl)piperidine-1-carboxylate?
The InChIKey is UUIXMUXHWFVZIJ-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H22F2N2O2/c1-18(2,3)24-17(23)22-7-6-15(20)14(10-22)13-9-21-16-8-11(19)4-5-12(13)16/h4-5,8-9,14-15,21H,6-7,10H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of tert-butyl (3R,4R)-4-fluoro-3-(6-fluoro-1H-indol-3-yl)piperidine-1-carboxylate?
tert-butyl (3R,4R)-4-fluoro-3-(6-fluoro-1H-indol-3-yl)piperidine-1-carboxylate has a molecular weight of 336.38 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-4-fluoro-3-(6-fluoro-1H-indol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 10854333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).