tert-butyl 4-(5-fluoropyrazol-1-yl)piperidine-1-carboxylate

C13H20FN3O2 — CID 170624679

IUPACtert-butyl 4-(5-fluoropyrazol-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2nccc2F)CC1
InChIInChI=1S/C13H20FN3O2/c1-13(2,3)19-12(18)16-8-5-10(6-9-16)17-11(14)4-7-15-17/h4,7,10H,5-6,8-9H2,1-3H3
InChIKeyFJFUHTAWPBERLK-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.59
Rot. Bonds1

About tert-butyl 4-(5-fluoropyrazol-1-yl)piperidine-1-carboxylate

tert-butyl 4-(5-fluoropyrazol-1-yl)piperidine-1-carboxylate (PubChem CID 170624679) has the molecular formula C13H20FN3O2 and a molecular weight of 269.32 g/mol. Its IUPAC name is tert-butyl 4-(5-fluoropyrazol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-fluoropyrazol-1-yl)piperidine-1-carboxylate
PubChem CID170624679
Molecular FormulaC13H20FN3O2
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC Nametert-butyl 4-(5-fluoropyrazol-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2nccc2F)CC1
InChIInChI=1S/C13H20FN3O2/c1-13(2,3)19-12(18)16-8-5-10(6-9-16)17-11(14)4-7-15-17/h4,7,10H,5-6,8-9H2,1-3H3
InChIKeyFJFUHTAWPBERLK-UHFFFAOYSA-N
XLogP2.59
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-Butyl 4-(4-bromo-1H-pyrazol-1-yl)piperidine-1-carboxylate
CID 45480278
US10030012, Example 81
CID 78318447
US10030012, Example 82
CID 78318448
US10030012, Example 4
CID 78318736
tert-butyl 4-(3-bromo-1H-pyrazol-1-yl)piperidine-1-carboxylate
CID 68523095
isopropyl 2-[2-(1H-pyrazol-1-yl)ethyl]-1-piperidinecarboxylate
CID 56888488
tert-Butyl 4-[2-(1H-pyrazol-1-yl)ethyl]piperazine-1-carboxylate
CID 52903976
Ethyl 4-(pyrazol-1-ylmethyl)piperidine-1-carboxylate
CID 52906705
tert-Butyl 4-(4-iodo-1H-pyrazol-1-yl)piperidine-1-carboxylate
CID 45480389
Tert-butyl 4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate
CID 71226272
tert-Butyl 4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]piperidine-1-carboxylate
CID 71226536
Tert-butyl 3-fluoro-5-(4-iodopyrazol-1-yl)piperidine-1-carboxylate
CID 89816220

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-fluoropyrazol-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-fluoropyrazol-1-yl)piperidine-1-carboxylate (CID 170624679) is tert-butyl 4-(5-fluoropyrazol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-fluoropyrazol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-fluoropyrazol-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2nccc2F)CC1.
What is the InChIKey of tert-butyl 4-(5-fluoropyrazol-1-yl)piperidine-1-carboxylate?
The InChIKey is FJFUHTAWPBERLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2/c1-13(2,3)19-12(18)16-8-5-10(6-9-16)17-11(14)4-7-15-17/h4,7,10H,5-6,8-9H2,1-3H3.
What are the key properties of tert-butyl 4-(5-fluoropyrazol-1-yl)piperidine-1-carboxylate?
tert-butyl 4-(5-fluoropyrazol-1-yl)piperidine-1-carboxylate has a molecular weight of 269.32 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-fluoropyrazol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 170624679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).