tert-butyl 4-(5-fluoro-1H-indol-3-yl)piperidine-1-carboxylate

C18H23FN2O2 — CID 22714417

IUPACtert-butyl 4-(5-fluoro-1H-indol-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C18H23FN2O2/c1-18(2,3)23-17(22)21-8-6-12(7-9-21)15-11-20-16-5-4-13(19)10-14(15)16/h4-5,10-12,20H,6-9H2,1-3H3
InChIKeyQYTJFOBUAJLXAR-UHFFFAOYSA-N
MW318.39 g/mol
LogP4.42
Rot. Bonds1

About tert-butyl 4-(5-fluoro-1H-indol-3-yl)piperidine-1-carboxylate

tert-butyl 4-(5-fluoro-1H-indol-3-yl)piperidine-1-carboxylate (PubChem CID 22714417) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is tert-butyl 4-(5-fluoro-1H-indol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-fluoro-1H-indol-3-yl)piperidine-1-carboxylate
PubChem CID22714417
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Nametert-butyl 4-(5-fluoro-1H-indol-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C18H23FN2O2/c1-18(2,3)23-17(22)21-8-6-12(7-9-21)15-11-20-16-5-4-13(19)10-14(15)16/h4-5,10-12,20H,6-9H2,1-3H3
InChIKeyQYTJFOBUAJLXAR-UHFFFAOYSA-N
XLogP4.42
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate
CID 45480277
tert-butyl 4-[5-(3,4-difluoroanilino)-1H-indol-3-yl]piperidine-1-carboxylate
CID 123163284
2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
CID 23655675
tert-butyl 4-(5-chloro-1H-indol-3-yl)piperidine-1-carboxylate;5-chloro-3-piperidin-4-yl-1H-indole;hydrochloride
CID 161384154
tert-butyl 4-[5-[(S)-chloro(cyclopropyl)methyl]-1H-indol-3-yl]piperidine-1-carboxylate
CID 139510374
cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087422
tert-butyl 4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 118483512
tert-butyl 4-(3,4-dimethyl-1H-indol-5-yl)piperidine-1-carboxylate
CID 142594147
2-(5-fluoro-1H-indol-3-yl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 67623901
tert-butyl (3R,4R)-4-(6-fluoro-1H-indol-3-yl)-3-hydroxypiperidine-1-carboxylate
CID 10544697
ethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 145286856
2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
CID 23655676

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-fluoro-1H-indol-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-fluoro-1H-indol-3-yl)piperidine-1-carboxylate (CID 22714417) is tert-butyl 4-(5-fluoro-1H-indol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-fluoro-1H-indol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-fluoro-1H-indol-3-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of tert-butyl 4-(5-fluoro-1H-indol-3-yl)piperidine-1-carboxylate?
The InChIKey is QYTJFOBUAJLXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-18(2,3)23-17(22)21-8-6-12(7-9-21)15-11-20-16-5-4-13(19)10-14(15)16/h4-5,10-12,20H,6-9H2,1-3H3.
What are the key properties of tert-butyl 4-(5-fluoro-1H-indol-3-yl)piperidine-1-carboxylate?
tert-butyl 4-(5-fluoro-1H-indol-3-yl)piperidine-1-carboxylate has a molecular weight of 318.39 g/mol, XLogP of 4.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-fluoro-1H-indol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 22714417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).