tert-butyl 3-(5-fluoro-2,3-dihydro-1H-indol-3-yl)piperidine-1-carboxylate

C18H25FN2O2 — CID 69459128

IUPACtert-butyl 3-(5-fluoro-2,3-dihydro-1H-indol-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C2CNc3ccc(F)cc32)C1
InChIInChI=1S/C18H25FN2O2/c1-18(2,3)23-17(22)21-8-4-5-12(11-21)15-10-20-16-7-6-13(19)9-14(15)16/h6-7,9,12,15,20H,4-5,8,10-11H2,1-3H3
InChIKeyLQXUHCJFAHLYFL-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.98
Rot. Bonds1

About tert-butyl 3-(5-fluoro-2,3-dihydro-1H-indol-3-yl)piperidine-1-carboxylate

tert-butyl 3-(5-fluoro-2,3-dihydro-1H-indol-3-yl)piperidine-1-carboxylate (PubChem CID 69459128) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is tert-butyl 3-(5-fluoro-2,3-dihydro-1H-indol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5-fluoro-2,3-dihydro-1H-indol-3-yl)piperidine-1-carboxylate
PubChem CID69459128
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Nametert-butyl 3-(5-fluoro-2,3-dihydro-1H-indol-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C2CNc3ccc(F)cc32)C1
InChIInChI=1S/C18H25FN2O2/c1-18(2,3)23-17(22)21-8-4-5-12(11-21)15-10-20-16-7-6-13(19)9-14(15)16/h6-7,9,12,15,20H,4-5,8,10-11H2,1-3H3
InChIKeyLQXUHCJFAHLYFL-UHFFFAOYSA-N
XLogP3.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R)-3-[(3R)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate
CID 125041566
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CID 140575490
tert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 42053071
tert-butyl 3-(6-chloro-2,3-dihydro-1H-indol-2-yl)piperidine-1-carboxylate
CID 70223224
tert-butyl 3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate
CID 126573698
tert-butyl (3R,4S)-3-(4-fluorophenyl)-4-hydroxypiperidine-1-carboxylate
CID 69060656
tert-butyl (3aS,8bR)-4-amino-7-fluoro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxylate
CID 154734196
3-(2,4-difluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 59830093
tert-butyl (3R)-3-[(4-fluorophenyl)sulfonylmethyl]piperidine-1-carboxylate
CID 159445241
tert-butyl (3S)-3-(4-fluoroanilino)pyrrolidine-1-carboxylate
CID 97056055
tert-butyl 3-(5-fluoro-2-piperazin-1-ylphenoxy)piperidine-1-carboxylate
CID 58817428
tert-butyl (3S,4R)-3-amino-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 39872120

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-fluoro-2,3-dihydro-1H-indol-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(5-fluoro-2,3-dihydro-1H-indol-3-yl)piperidine-1-carboxylate (CID 69459128) is tert-butyl 3-(5-fluoro-2,3-dihydro-1H-indol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(5-fluoro-2,3-dihydro-1H-indol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(5-fluoro-2,3-dihydro-1H-indol-3-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(C2CNc3ccc(F)cc32)C1.
What is the InChIKey of tert-butyl 3-(5-fluoro-2,3-dihydro-1H-indol-3-yl)piperidine-1-carboxylate?
The InChIKey is LQXUHCJFAHLYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-18(2,3)23-17(22)21-8-4-5-12(11-21)15-10-20-16-7-6-13(19)9-14(15)16/h6-7,9,12,15,20H,4-5,8,10-11H2,1-3H3.
What are the key properties of tert-butyl 3-(5-fluoro-2,3-dihydro-1H-indol-3-yl)piperidine-1-carboxylate?
tert-butyl 3-(5-fluoro-2,3-dihydro-1H-indol-3-yl)piperidine-1-carboxylate has a molecular weight of 320.41 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-fluoro-2,3-dihydro-1H-indol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 69459128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).